BRADFORD_PROTEIN	8.392	6.357	7.763	8.994	9.677	6.651	9.782	10.211	11.213	10.259	9.677	8.654	9.966	10.388	6.704	10.469	9.493	10.203	9.44	6.223
													CONC		1uM	10nM	100pM		1uM	10nM	100pM	100pM	1uM	10nM		100pM		1uM	10nM	10nM		100pM	1uM
													TREATMENT	Control	PCB_1然	PCB_10nM	PCB_100pM	Control	PCB_1然	PCB_10nM	PCB_100pM	PCB_100pM	PCB_1然	PCB_10nM	Control	PCB_100pM	Control	PCB_1然	PCB_10nM	PCB_10nM	Control	PCB_100pM	PCB_1然
PATHWAY_SORTORDER	BIOCHEMICAL	SUPER_PATHWAY	SUB_PATHWAY	COMP_ID	PLATFORM	CHEMICAL_ID	RI	MASS	CAS	PUBCHEM	CHEMSPIDER	KEGG	                               Group   HMDB_ID	Ctrl	PCB_1uM	PCB_10nM	PCB_100pM	Ctrl	PCB_1uM	PCB_10nM	PCB_100pM	PCB_100pM	PCB_1uM	PCB_10nM	Ctrl	PCB_100pM	Ctrl	PCB_1uM	PCB_10nM	PCB_10nM	Ctrl	PCB_100pM	PCB_1uM
1745	"1,2-dilinoleoyl-GPC (18:2/18:2)"	Lipid	Phosphatidylcholine (PC)	52603	LC/MS Pos Late	100008903	2006	782.56944	998-06-1	5288075	4450312		HMDB08138	"38,606,388"	"41,662,544"	"59,692,064"	"62,766,028"	"49,857,892"	"47,123,644"	"51,189,336"	"58,393,736"	"45,514,860"	"60,047,060"	"54,459,008"	"51,219,708"	"60,747,456"	"57,952,128"	"53,918,744"	"60,967,344"	"58,649,064"	"60,476,784"	"57,593,288"	"45,853,016"
1811	"1,2-dilinoleoyl-GPE (18:2/18:2)*"	Lipid	Phosphatidylethanolamine (PE)	53174	LC/MS Pos Late	100009217	2083	740.52248		9546812	7825762		HMDB09093	"4,530,694"	"4,766,487"	"6,348,178"	"6,851,159"	"5,861,328"	"4,025,446"	"6,087,892"	"7,197,556"	"5,696,492"	"6,211,188"	"7,126,897"	"6,162,241"	"7,384,843"	"6,884,336"	"5,774,758"	"7,377,810"	"6,650,726"	"6,827,572"	"6,478,239"	"5,296,034"
1740	"1,2-dioleoyl-GPC (18:1/18:1)"	Lipid	Phosphatidylcholine (PC)	52457	LC/MS Pos Late	100008905	2346	786.60074	4235-95-4	10350317	8525772			"329,245,568"	"226,318,608"	"357,479,232"	"399,741,696"	"416,755,040"	"193,267,600"	"387,107,488"	"538,165,568"	"343,808,288"	"420,331,776"	"467,718,816"	"447,643,040"	"532,909,600"	"488,226,784"	"270,196,768"	"509,427,264"	"460,599,296"	"502,221,120"	"457,697,344"	"236,954,720"
1808	"1,2-dioleoyl-GPE (18:1/18:1)"	Lipid	Phosphatidylethanolamine (PE)	52609	LC/MS Pos Late	100008906	2485	744.55378	01/05/4004	9546757	7825707			"145,287,680"	"100,504,336"	"143,011,456"	"185,692,960"	"199,335,088"	"79,921,880"	"164,843,056"	"248,573,568"	"183,047,088"	"191,773,440"	"222,567,088"	"202,867,664"	"247,545,328"	"242,615,520"	"105,728,664"	"253,092,832"	"230,686,720"	"214,564,224"	"212,808,544"	"118,708,952"
1875	"1,2-dioleoyl-GPG (18:1/18:1)"	Lipid	Phosphatidylglycerol (PG)	19142	LC/MS Polar	1541	715	773.53381	67254-28-8	11846228	10020702			"8,624,057"	"4,679,872"	"10,075,251"	"10,021,400"	"12,954,889"	"6,101,190"	"14,865,986"	"12,851,340"	"13,569,313"	"11,562,142"	"12,399,072"	"11,748,333"	"18,433,156"	"16,659,425"	"11,915,289"	"19,388,720"	"18,288,370"	"20,360,792"	"21,586,124"	"12,915,157"
1898	"1,2-dioleoyl-GPI (18:1/18:1)"	Lipid	Phosphatidylinositol (PI)	52619	LC/MS Pos Late	100008908	3121	880.59096			24767722		HMDB09837	"7,059,506"	"4,062,515"	"8,797,037"	"10,446,943"	"10,671,380"	"4,467,750"	"10,304,176"	"11,162,097"	"4,879,588"	"11,142,657"	"11,331,000"	"10,424,355"	"15,011,926"	"12,965,740"	"5,811,298"	"12,213,544"	"13,112,897"	"13,696,729"	"12,497,171"	"6,225,754"
1658	"1,2-dipalmitoyl-GPC (16:0/16:0)"	Lipid	Phosphatidylcholine (PC)	19130	LC/MS Pos Late	100000657	2365	734.56944	63-89-8	452110	398235	D03585	HMDB00564	"220,481,984"	"300,879,296"	"266,584,208"	"271,118,176"	"244,031,200"	"281,157,184"	"203,849,648"	"272,072,224"	"194,423,184"	"210,746,368"	"200,903,136"	"230,808,000"	"233,987,136"	"214,689,264"	"324,316,352"	"238,570,928"	"232,467,344"	"242,000,432"	"232,711,360"	"320,373,632"
1777	"1,2-dipalmitoyl-GPE (16:0/16:0)*"	Lipid	Phosphatidylethanolamine (PE)	57341	LC/MS Pos Late	100009204	2498	692.52248		445468	393103		HMDB08923	"1,943,005"	"1,997,867"	"1,761,382"	"2,358,062"	"2,105,939"	"1,809,252"	"1,723,275"	"2,407,859"	"1,594,900"	"1,840,803"	"1,979,545"	"2,006,618"	"2,406,144"	"2,155,279"	"1,904,170"	"2,103,460"	"1,996,037"	"2,116,823"	"1,964,813"	"2,067,838"
2150	1-(1-enyl-oleoyl)-GPE (P-18:1)*	Lipid	Lysoplasmalogen	44621	LC/MS Pos Late	100005372	1566	464.3136						"73,046"			"101,900"	"82,793"		"92,357"	"79,036"					"140,919"	"167,173"		"141,021"	"136,051"	"104,654"	"101,078"	
2123	1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*	Lipid	Plasmalogen	52673	LC/MS Pos Late	100009002	2270	724.52757			24769238		HMDB11352	"14,185,293"	"12,058,610"	"13,060,187"	"17,830,162"	"15,247,849"	"11,466,504"	"11,342,222"	"18,096,208"	"13,088,475"	"13,946,378"	"12,591,971"	"14,207,825"	"15,649,366"	"17,385,428"	"15,049,458"	"16,710,809"	"13,382,995"	"19,468,026"	"15,914,276"	"12,734,061"
2132	1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*	Lipid	Plasmalogen	52682	LC/MS Pos Late	100009009	2226	742.57452			24767486		HMDB11211	"3,265,050"	"2,475,842"	"2,348,265"	"3,804,653"	"2,560,692"	"2,118,176"	"2,731,868"	"3,606,907"	"1,568,464"	"2,703,724"	"1,994,050"	"2,210,651"	"2,296,846"	"2,555,408"	"2,072,434"	"2,300,260"	"2,691,684"	"3,123,992"	"3,104,795"	"2,407,399"
2120	1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*	Lipid	Plasmalogen	52677	LC/MS Pos Late	100009069	2351	700.52757			24769229		HMDB11343	"1,632,801"	"1,204,943"	"1,466,071"	"1,992,515"	"1,908,078"	"1,051,406"	"1,452,148"	"2,140,822"	"1,775,083"	"1,306,691"	"1,788,074"	"1,912,560"	"2,035,408"	"1,891,854"	"1,353,515"	"1,659,165"	"1,557,291"	"1,988,433"	"1,912,471"	"1,300,693"
2125	1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*	Lipid	Plasmalogen	52478	LC/MS Pos Late	100009007	2443	744.59017						"3,198,269"	"2,568,300"	"3,486,269"	"3,859,016"	"3,016,159"	"2,802,791"	"3,142,022"	"3,750,991"	"2,041,204"	"3,354,826"	"2,560,317"	"2,571,979"	"2,777,871"	"3,220,713"	"2,815,673"	"2,995,869"	"3,278,817"	"3,693,226"	"3,614,676"	"2,677,520"
2119	1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*	Lipid	Plasmalogen	52477	LC/MS Pos Late	100009005	2600	702.54322			24769228		HMDB11342	"1,130,209"	"952,971"	"1,211,783"	"1,742,571"	"1,417,708"	"877,059"	"1,116,186"	"1,614,801"	"1,105,038"	"1,447,395"	"1,283,974"	"1,391,556"	"1,580,790"	"1,623,380"	"1,063,190"	"1,507,749"	"1,060,569"	"1,667,696"	"1,551,451"	"1,057,689"
2122	1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*	Lipid	Plasmalogen	52713	LC/MS Pos Late	100009160	2218	716.55887			24767482		HMDB11207	"1,836,600"	"1,522,468"	"1,751,918"	"2,189,491"	"1,566,699"	"1,592,877"	"1,509,910"	"2,180,789"	"972,137"	"1,575,251"	"1,315,088"	"1,672,232"	"1,732,472"	"1,876,128"	"1,838,346"	"1,751,864"	"1,839,466"	"1,832,117"	"1,672,641"	"1,972,626"
2121	1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*	Lipid	Plasmalogen	52716	LC/MS Pos Late	100009162	2454	718.57452		11146967	9322076		HMDB11206	"1,910,311"	"2,275,763"	"2,565,820"	"2,772,092"	"2,171,538"	"2,509,235"	"2,403,905"	"2,724,642"	"1,805,332"	"2,540,361"	"2,036,693"	"2,081,953"	"2,415,054"	"2,736,276"	"2,803,659"	"2,743,320"	"2,572,393"	"2,842,902"	"2,857,886"	"2,554,501"
2148	1-(1-enyl-palmitoyl)-GPE (P-16:0)*	Lipid	Lysoplasmalogen	39270	LC/MS Pos Late	100003000	1558	438.2979			10471193			"91,396"	"133,558"	"123,178"	"235,162"	"158,366"	"97,484"	"114,016"	"188,597"	"108,969"	"93,762"	"138,389"	"101,541"	"225,837"	"225,209"	"173,241"	"177,381"	"191,416"	"349,820"	"167,354"	"119,448"
2135	1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*	Lipid	Plasmalogen	52475	LC/MS Pos Late	100008999	2511	752.55887		9547058	7826008		HMDB05779	"8,943,156"	"7,283,007"	"8,351,180"	"11,913,603"	"9,913,171"	"7,180,646"	"7,273,293"	"11,278,145"	"8,082,217"	"8,034,327"	"7,576,774"	"9,680,957"	"9,152,290"	"10,467,362"	"8,685,153"	"10,568,276"	"8,719,233"	"12,887,712"	"9,704,871"	"7,954,492"
2128	1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*	Lipid	Plasmalogen	52748	LC/MS Pos Late	100009225	2633	728.55887			24769261		HMDB11376	"2,375,934"	"1,576,238"	"2,138,731"	"2,723,795"	"2,268,741"	"1,445,687"	"1,852,548"	"2,744,806"	"2,165,109"	"2,434,721"	"2,277,161"	"2,396,326"	"2,491,615"	"2,413,562"	"1,857,891"	"2,358,292"	"1,882,018"	"2,524,935"	"2,380,289"	"1,785,734"
2127	1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)	Lipid	Plasmalogen	52614	LC/MS Pos Late	100008919	2950	730.57452	144371-68-6		24769260		HMDB11375	"505,584"	"370,557"	"336,265"	"570,402"	"641,307"		"394,136"	"660,571"	"406,605"	"665,122"	"509,160"	"568,681"	"563,302"	"473,116"		"435,530"	"331,986"		"283,018"	
2152	1-(1-enyl-stearoyl)-GPE (P-18:0)*	Lipid	Lysoplasmalogen	39271	LC/MS Pos Late	100003001	1649	466.3292						"206,891"	"165,604"	"231,956"	"371,592"	"217,421"	"208,334"	"255,913"	"343,380"	"160,413"	"222,055"	"228,753"	"200,027"	"329,048"	"364,437"	"257,067"	"284,085"	"327,670"	"449,626"	"279,485"	"215,588"
1995	1-arachidonoyl-GPE (20:4n6)*	Lipid	Lysophospholipid	35186	LC/MS Neg	100001571	5874	500.27826		42607465	21403171		HMDB11517	"592,280"	"1,321,575"	"273,403"	"526,219"	"904,408"	"353,125"	"490,029"	"2,936,243"	"312,022"	"194,584"	"225,357"	"519,598"	"322,180"	"576,276"	"583,277"	"285,894"	"437,067"	"357,164"	"525,137"	"307,914"
2026	1-arachidonoyl-GPI (20:4)*	Lipid	Lysophospholipid	34214	LC/MS Neg	100001654	5482	619.28888					HMDB61690	"3,466,199"	"2,164,646"	"1,038,396"	"1,701,842"	"1,812,193"	"612,740"	"1,263,945"	"3,575,263"	"544,681"	"181,875"	"391,333"	"975,641"	"646,795"	"1,228,511"	"422,301"	"659,347"	"1,677,358"	"1,885,739"	"2,549,137"	"955,818"
1947	1-linoleoyl-GPC (18:2)	Lipid	Lysophospholipid	34419	LC/MS Pos Late	100001395	1465	520.33977		11988421	10160888	C04100	HMDB10386	"341,749"	"455,196"	"515,026"	"562,661"	"370,894"	"379,929"	"1,012,792"	"522,997"	"396,711"	"433,510"	"461,993"	"319,334"	"457,050"	"465,960"	"458,325"	"486,313"	"448,807"	"542,003"	"519,035"	"328,627"
1988	1-linoleoyl-GPE (18:2)*	Lipid	Lysophospholipid	36600	LC/MS Pos Late	100001570	1482	478.29282		52925130	21403170		HMDB11507	"93,569"	"153,571"	"306,889"	"323,734"	"267,950"	"122,373"	"612,730"	"285,632"	"207,769"	"176,478"	"316,824"	"137,035"	"333,299"	"435,041"	"294,371"	"308,791"	"317,496"	"360,295"	"366,108"	"139,509"
2014	1-linoleoyl-GPG (18:2)*	Lipid	Lysophospholipid	54885	LC/MS Neg	100009227	5516	507.27284						"3,160,472"	"1,531,517"	"1,470,757"	"1,545,830"	"3,435,816"	"1,726,944"	"2,266,212"	"8,344,920"	"1,470,813"	"1,658,805"	"1,571,769"	"3,474,179"	"2,979,806"	"6,080,405"	"3,568,621"	"3,937,438"	"3,695,637"	"2,354,524"	"5,215,042"	"1,897,431"
2022	1-linoleoyl-GPI (18:2)*	Lipid	Lysophospholipid	36594	LC/MS Neg	100001778	5494	595.28888						"647,744"	"411,122"	"141,845"	"307,730"	"396,929"	"101,091"	"195,098"	"948,796"				"141,634"	"106,536"	"203,491"			"299,423"	"396,581"	"487,822"	"120,584"
2170	1-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	27447	LC/MS Neg	100001040	6477	279.23293	2277-28-3	5283469	4446589			"766,170"		"285,472"		"558,071"		"568,666"	"1,506,335"			"593,049"	"1,257,952"	"1,234,777"		"732,961"	"619,106"		"361,188"	"3,233,765"	
3389	1-methylnicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	27665	LC/MS Pos Early	55	1940	137.07094	1005-24-9	10129985	8305504	C02918	HMDB00699	"270,281,152"	"210,132,496"	"217,436,496"	"228,052,432"	"178,042,512"	"161,066,976"	"157,366,816"	"186,799,968"	"169,499,664"	"160,727,712"	"180,592,864"	"206,430,752"	"165,585,648"	"167,277,568"	"147,226,736"	"162,809,248"	"152,767,872"	"146,343,728"	"153,314,448"	"138,895,984"
1649	1-myristoyl-2-arachidonoyl-GPC (14:0/20:4)*	Lipid	Phosphatidylcholine (PC)	53195	LC/MS Pos Late	100009139	1914	754.53813			24766559		HMDB07883	"4,068,719"	"4,088,017"	"5,521,137"	"6,706,670"	"4,226,798"	"4,451,746"	"4,027,722"	"5,367,270"	"4,541,329"	"4,438,380"	"3,774,944"	"3,831,951"	"5,293,777"	"5,866,275"	"5,145,355"	"5,967,675"	"5,422,412"	"6,314,910"	"5,206,111"	"4,017,366"
1645	1-myristoyl-2-palmitoyl-GPC (14:0/16:0)	Lipid	Phosphatidylcholine (PC)	19258	LC/MS Pos Late	100000672	2147	706.53813	69525-80-0	129657	114798		HMDB07869	"67,566,176"	"88,370,520"	"96,304,808"	"93,258,224"	"74,097,456"	"76,234,976"	"87,606,272"	"85,552,816"	"64,200,732"	"78,623,816"	"83,914,568"	"69,824,440"	"85,314,184"	"85,834,528"	"99,026,304"	"86,119,976"	"86,100,896"	"80,457,040"	"77,603,216"	"89,955,744"
1916	1-oleoyl-2-arachidonoyl-GPI (18:1/20:4) *	Lipid	Phosphatidylinositol (PI)	54994	LC/MS Pos Late	100010951	2568	902.57531					HMDB09844	"8,119,357"	"5,536,366"	"9,027,683"	"11,203,917"	"9,636,995"	"6,677,301"	"8,084,390"	"9,882,809"	"4,242,474"	"9,337,115"	"9,311,777"	"9,626,206"	"10,983,038"	"10,901,921"	"7,124,645"	"11,196,121"	"11,326,302"	"12,871,271"	"10,553,019"	"6,254,990"
1769	1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6)*	Lipid	Phosphatidylcholine (PC)	52697	LC/MS Pos Late	100009130	2011	832.58509			24766785		HMDB08123	"13,914,985"	"12,190,818"	"22,782,418"	"22,160,732"	"18,461,098"	"15,294,998"	"19,991,376"	"20,755,132"	"16,838,832"	"20,575,224"	"19,533,672"	"17,913,988"	"21,256,036"	"20,621,368"	"14,758,502"	"21,522,550"	"21,780,316"	"22,183,934"	"19,273,214"	"12,580,920"
1837	1-oleoyl-2-docosahexaenoyl-GPE (18:1/22:6)*	Lipid	Phosphatidylethanolamine (PE)	53209	LC/MS Pos Late	100009220	2119	790.53813			24768542			"14,587,653"	"11,975,952"	"17,120,036"	"18,795,216"	"17,693,308"	"9,501,178"	"15,943,512"	"19,415,496"	"14,579,868"	"16,369,391"	"18,938,488"	"17,981,184"	"19,412,012"	"19,668,966"	"13,167,977"	"19,631,648"	"17,590,000"	"19,188,448"	"17,618,688"	"12,343,826"
1743	1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*	Lipid	Phosphatidylcholine (PC)	52453	LC/MS Pos Late	100008981	2165	784.58509						"351,789,760"	"349,112,064"	"449,648,800"	"490,991,296"	"396,005,088"	"305,491,424"	"410,008,352"	"490,256,832"	"363,240,576"	"384,852,064"	"432,797,632"	"451,843,968"	"436,740,960"	"455,475,488"	"418,652,032"	"450,168,064"	"422,089,120"	"487,342,976"	"480,032,384"	"378,757,024"
1810	1-oleoyl-2-linoleoyl-GPE (18:1/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52687	LC/MS Pos Late	100009078	2270	742.53813		9546753	7825703		HMDB05349	"88,088,776"	"91,199,232"	"125,983,128"	"120,841,104"	"121,029,416"	"84,120,112"	"121,960,392"	"135,477,888"	"109,322,280"	"116,295,424"	"140,779,200"	"120,809,848"	"138,673,024"	"142,461,184"	"118,990,072"	"146,911,376"	"141,090,096"	"148,407,776"	"133,881,976"	"106,576,144"
1876	1-oleoyl-2-linoleoyl-GPG (18:1/18:2)*	Lipid	Phosphatidylglycerol (PG)	57400	LC/MS Polar	100009113	740	771.51816			24768134		HMDB10635	"2,819,853"	"1,903,252"	"3,097,851"	"3,099,650"	"3,872,593"	"2,417,500"	"4,185,815"	"3,878,202"	"3,878,267"	"3,684,899"	"3,454,763"	"3,467,720"	"5,293,468"	"4,838,760"	"4,424,495"	"5,628,404"	"5,130,463"	"6,036,324"	"6,415,692"	"4,708,568"
1944	1-oleoyl-GPC (18:1)	Lipid	Lysophospholipid	48258	LC/MS Pos Late	100001272	1540	522.35542	19420-56-5	16081932	17240641		HMDB02815	"5,820,151"	"5,385,776"	"8,689,203"	"9,824,109"	"7,502,224"	"5,277,897"	"11,991,893"	"9,017,602"	"7,457,462"	"7,203,057"	"8,866,111"	"6,526,687"	"10,572,359"	"11,211,947"	"6,469,825"	"8,671,622"	"11,769,408"	"11,404,908"	"10,644,052"	"5,611,378"
1986	1-oleoyl-GPE (18:1)	Lipid	Lysophospholipid	35628	LC/MS Pos Late	100001569	1554	480.30847	89576-29-4	9547071	7826021		HMDB11506	"6,870,554"	"5,139,715"	"9,686,387"	"12,308,574"	"7,997,049"	"4,026,502"	"11,939,981"	"9,624,849"	"6,592,067"	"7,022,161"	"10,829,275"	"7,741,603"	"14,077,892"	"13,623,256"	"7,981,606"	"10,958,738"	"15,004,870"	"13,405,316"	"12,924,231"	"6,542,150"
2012	1-oleoyl-GPG (18:1)*	Lipid	Lysophospholipid	45968	LC/MS Neg	100005716	5610	509.28849			34999689			"15,257,498"	"6,681,210"	"10,039,959"	"7,593,365"	"18,341,820"	"8,832,840"	"15,338,536"	"34,714,136"	"7,443,419"	"9,162,418"	"11,977,074"	"16,400,998"	"16,672,344"	"28,764,268"	"20,756,128"	"15,032,500"	"21,204,568"	"14,922,233"	"24,356,112"	"10,160,317"
2020	1-oleoyl-GPI (18:1)*	Lipid	Lysophospholipid	36602	LC/MS Neg	100001777	5599	597.30453						"1,219,056"	"1,218,164"	"517,165"	"798,505"	"1,085,398"	"298,464"	"614,080"	"3,154,293"	"423,664"	"229,011"	"345,039"	"605,062"	"422,608"	"913,081"	"346,500"	"519,343"	"1,002,028"	"1,126,604"	"1,028,446"	"526,583"
2004	1-oleoyl-GPS (18:1)	Lipid	Lysophospholipid	19260	LC/MS Neg	100000630	5607	522.28374	326589-90-6	9547099	7826049		HMDB61694	"248,413"	"152,209"	"126,356"	"159,044"	"261,172"		"148,092"	"586,170"		"36,843"		"153,668"	"106,883"	"252,319"	"88,141"	"100,362"	"230,955"	"154,958"	"197,331"	"121,972"
2169	1-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21184	LC/MS Neg	100000924	6650	281.24858	111-03-5	5283468	4446588		HMDB11567	"5,763,112"	"1,536,200"	"2,826,615"	"2,636,779"	"5,585,439"		"13,449,050"	"4,862,960"	"3,860,146"		"5,106,293"	"7,500,773"	"9,344,732"	"11,926,545"	"6,031,825"	"3,108,054"	"3,877,180"	"2,664,117"	"6,281,178"	
1687	1-palmitoleoyl-2-linolenoyl-GPC (16:1/18:3)*	Lipid	Phosphatidylcholine (PC)	53180	LC/MS Pos Late	100009345	1850	754.53813			24766677		HMDB08008	"1,296,153"	"1,230,894"	"1,837,731"	"2,221,445"	"1,593,562"	"1,241,951"	"1,493,903"	"1,887,216"	"1,479,846"	"1,497,979"	"1,649,639"	"1,492,408"	"2,385,208"	"2,112,967"	"1,567,539"	"2,353,014"	"1,869,573"	"1,917,128"	"1,805,208"	"1,178,625"
1685	1-palmitoleoyl-2-linoleoyl-GPC (16:1/18:2)*	Lipid	Phosphatidylcholine (PC)	52683	LC/MS Pos Late	100009075	2003	756.55378			24766675		HMDB08006	"54,111,032"	"48,403,128"	"64,635,132"	"82,741,528"	"67,532,744"	"51,300,356"	"60,881,064"	"81,622,872"	"60,172,376"	"74,664,320"	"70,313,248"	"71,345,672"	"87,209,272"	"81,309,840"	"58,492,088"	"85,719,128"	"74,387,224"	"80,004,736"	"73,843,416"	"53,503,952"
1789	1-palmitoleoyl-2-oleoyl-GPE (16:1/18:1)*	Lipid	Phosphatidylethanolamine (PE)	52469	LC/MS Pos Late	100008995	2250	716.52248			24768446			"26,670,904"	"15,873,937"	"37,881,608"	"51,887,144"	"58,627,128"	"14,020,069"	"51,667,032"	"64,959,372"	"53,867,948"	"42,761,704"	"69,392,960"	"55,551,312"	"84,335,080"	"82,399,008"	"29,132,664"	"87,975,304"	"68,718,336"	"62,961,120"	"62,657,328"	"25,473,316"
1887	1-palmitoleoyl-2-oleoyl-GPI (16:1/18:1)*	Lipid	Phosphatidylinositol (PI)	52725	LC/MS Pos Late	100009174	2665	852.55966			24767686			"3,519,265"	"1,289,497"	"4,806,844"	"5,013,451"	"5,732,684"	"2,664,541"	"5,379,324"	"6,293,107"	"2,432,565"	"4,881,349"	"6,254,349"	"5,153,793"	"7,739,676"	"8,116,180"	"3,831,430"	"8,037,642"	"6,859,356"	"7,244,240"	"6,406,422"	"3,107,874"
1937	1-palmitoleoyl-GPC (16:1)*	Lipid	Lysophospholipid	33230	LC/MS Pos Late	100001511	1450	494.32412		24779461	21403152		HMDB10383	"399,764"	"383,117"	"539,891"	"664,878"	"445,005"	"369,289"	"1,014,393"	"622,569"	"495,896"	"418,748"	"597,626"	"384,403"	"696,033"	"880,112"	"448,889"	"636,515"	"726,736"	"697,128"	"727,768"	"337,988"
2166	1-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	52431	LC/MS Neg	100008952	6094	253.21727					HMDB11565	"1,518,301"			"442,540"	"1,802,963"		"895,519"	"1,201,882"	"942,162"		"1,042,465"	"2,321,233"		"2,691,418"		"729,427"		"409,391"	"2,652,975"	
1675	1-palmitoyl-2-alpha-linolenoyl-GPC (16:0/18:3n3)*	Lipid	Phosphatidylcholine (PC)	52684	LC/MS Pos Late	100009076	2034	756.55378			24766646		HMDB07975	"20,853,688"	"31,217,324"	"40,605,456"	"36,653,736"	"33,372,818"	"28,393,520"	"34,904,300"	"32,659,668"	"33,498,140"	"31,815,910"	"30,388,642"	"30,336,380"	"40,505,904"	"40,399,420"	"41,072,640"	"46,353,644"	"40,168,944"	"39,486,820"	"37,917,692"	"30,941,184"
1701	1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)	Lipid	Phosphatidylcholine (PC)	52462	LC/MS Pos Late	100008914	2091	782.56944	35418-58-7	10747814	8923140		HMDB07982	"319,405,024"	"303,106,880"	"350,128,928"	"441,756,224"	"370,272,896"	"333,481,568"	"312,795,680"	"416,430,720"	"301,971,200"	"309,302,176"	"310,921,120"	"341,843,168"	"366,798,976"	"396,932,352"	"359,904,448"	"375,003,488"	"341,459,584"	"429,720,896"	"386,646,336"	"321,630,592"
1795	1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*	Lipid	Phosphatidylethanolamine (PE)	52464	LC/MS Pos Late	100008990	2198	740.52248		9546800	7825750		HMDB05323	"51,316,316"	"58,779,268"	"65,204,012"	"70,494,648"	"63,958,496"	"59,485,924"	"61,165,420"	"72,258,600"	"51,108,576"	"56,966,344"	"60,577,508"	"60,622,468"	"66,037,568"	"69,654,888"	"70,086,784"	"67,905,792"	"59,792,956"	"69,032,472"	"61,880,240"	"63,818,540"
1889	1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*	Lipid	Phosphatidylinositol (PI)	52467	LC/MS Pos Late	100008993	2567	876.55966			24767674		HMDB09789	"1,606,048"	"1,353,420"	"1,943,997"	"2,427,768"	"1,704,704"	"1,794,389"	"1,536,556"	"1,849,985"	"636,440"	"1,858,921"	"1,544,187"	"1,648,216"	"2,019,586"	"2,011,734"	"1,701,864"	"1,994,547"	"1,843,601"	"2,201,024"	"1,667,353"	"1,606,453"
1693	1-palmitoyl-2-dihomo-linolenoyl-GPC (16:0/20:3n3 or 6)*	Lipid	Phosphatidylcholine (PC)	52454	LC/MS Pos Late	100008985	2199	784.58509						"108,238,632"	"92,364,640"	"111,929,528"	"119,015,976"	"129,102,952"	"119,530,848"	"97,781,632"	"115,218,944"	"100,971,616"	"103,730,272"	"118,908,816"	"92,145,624"	"133,968,904"	"114,517,680"	"113,666,480"	"130,645,800"	"144,950,832"	"141,895,056"	"118,244,672"	"109,451,336"
1717	1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6)	Lipid	Phosphatidylcholine (PC)	52610	LC/MS Pos Late	100008915	2023	806.56944	59403-54-2	6441886	4946007		HMDB07991	"25,254,240"	"21,857,240"	"31,314,300"	"39,357,244"	"31,208,856"	"29,259,540"	"28,951,308"	"34,837,800"	"26,690,282"	"29,905,408"	"28,958,576"	"30,618,666"	"31,582,632"	"34,285,380"	"25,869,850"	"32,518,472"	"29,971,552"	"33,564,744"	"30,888,010"	"22,058,216"
1799	1-palmitoyl-2-docosahexaenoyl-GPE (16:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52465	LC/MS Pos Late	100008991	2119	764.52248		9546799	7825749		HMDB05324	"14,414,847"	"13,303,020"	"13,038,534"	"19,250,362"	"15,820,522"	"10,970,172"	"11,097,161"	"15,774,881"	"13,028,857"	"11,000,023"	"11,923,397"	"14,282,272"	"14,639,829"	"15,571,675"	"11,767,184"	"14,498,942"	"12,296,780"	"16,436,091"	"14,551,675"	"10,858,158"
1786	1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)	Lipid	Phosphatidylethanolamine (PE)	42449	LC/MS Pos Late	100001870	2275	716.52248		9546747	7825697		HMDB05322	"32,383,510"	"35,225,424"	"45,309,208"	"34,628,072"	"37,182,388"	"40,043,448"	"42,282,052"	"45,448,552"	"30,442,694"	"36,959,572"	"37,655,248"	"34,249,392"	"40,588,740"	"42,821,824"	"48,054,660"	"38,886,260"	"45,834,036"	"50,312,276"	"37,519,836"	"44,184,736"
1633	1-palmitoyl-2-oleoyl-GPA (16:0/18:1)	Lipid	Phosphatidic acid (PA)	19262	LC/MS Pos Late	1535	3293	692.52249	169437-35-8	5283523	4446637	C13889		"1,708,804"	"1,008,512"	"1,766,089"	"2,442,155"	"2,210,350"	"1,239,349"	"1,160,495"	"2,496,336"	"1,415,146"	"2,212,359"	"1,818,790"	"1,607,696"	"2,313,861"	"2,257,650"	"1,603,727"	"2,337,548"	"2,350,274"	"2,297,340"	"1,512,516"	"1,280,381"
1667	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	Lipid	Phosphatidylcholine (PC)	52461	LC/MS Pos Late	1539	2358	760.58509	26853-31-6;26853-31-6	6436017	4940699		HMDB07972	"894,896,256"	"924,881,536"	"1,177,622,272"	"1,152,287,488"	"1,181,675,392"	"904,413,504"	"1,132,336,896"	"1,304,255,488"	"942,996,608"	"1,025,251,520"	"1,157,801,344"	"1,113,818,752"	"1,229,157,376"	"1,255,772,160"	"1,111,050,624"	"1,237,873,664"	"1,206,602,112"	"1,333,838,464"	"1,271,581,312"	"1,065,511,936"
1785	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	19263	LC/MS Pos Late	1526	2509	718.53813	26662-94-2	5283496	4446615		HMDB05320	"77,303,856"	"68,519,968"	"92,087,872"	"103,087,848"	"97,596,144"	"65,255,120"	"97,632,984"	"115,721,920"	"81,804,832"	"90,528,264"	"108,039,328"	"94,670,112"	"121,791,840"	"114,734,384"	"82,256,720"	"119,488,440"	"110,339,152"	"116,469,720"	"104,830,400"	"82,167,520"
1868	1-palmitoyl-2-oleoyl-GPG (16:0/18:1)	Lipid	Phosphatidylglycerol (PG)	52448	LC/MS Pos Late	100000641	3206	766.55927		5283509	4446626			"2,868,371"	"2,759,932"	"4,075,575"	"4,587,019"	"4,037,472"	"3,286,452"	"3,568,042"	"4,454,212"	"2,039,032"	"4,538,149"	"3,756,850"	"3,742,377"	"4,959,403"	"4,849,735"	"3,544,948"	"5,297,593"	"4,843,431"	"5,047,201"	"4,484,790"	"2,870,015"
1881	1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*	Lipid	Phosphatidylinositol (PI)	52669	LC/MS Pos Late	100009066	3140	854.57531			24767668		HMDB09783	"5,881,538"	"4,714,009"	"8,227,663"	"8,274,365"	"8,494,558"	"5,966,734"	"8,265,718"	"9,012,729"	"3,131,931"	"7,643,786"	"8,699,533"	"7,705,750"	"10,893,297"	"11,074,694"	"7,500,265"	"11,277,947"	"10,842,868"	"10,805,375"	"9,610,019"	"7,404,930"
1847	1-palmitoyl-2-oleoyl-GPS (16:0/18:1)	Lipid	Phosphatidylserine (PS)	19261	LC/MS Pos Late	1531	2660	762.52797	40290-44-6	5283499	4446618	C13880	HMDB12357	"15,776,444"	"17,444,952"	"21,134,496"	"21,583,810"	"22,090,948"	"16,410,491"	"20,008,964"	"25,646,474"	"18,168,308"	"20,982,836"	"22,589,806"	"21,310,432"	"26,379,474"	"25,038,634"	"20,449,818"	"26,254,604"	"23,738,240"	"26,577,288"	"22,494,632"	"20,195,910"
1660	1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*	Lipid	Phosphatidylcholine (PC)	52470	LC/MS Pos Late	100008984	2160	732.55378					HMDB07969	"422,766,848"	"473,943,328"	"594,706,304"	"571,812,352"	"578,115,392"	"462,740,768"	"621,320,256"	"655,120,192"	"499,497,152"	"521,248,544"	"627,381,824"	"550,297,728"	"660,008,192"	"681,746,432"	"608,132,608"	"673,240,960"	"648,960,704"	"625,944,704"	"604,593,280"	"562,243,200"
1664	1-palmitoyl-2-stearoyl-GPC (16:0/18:0)	Lipid	Phosphatidylcholine (PC)	52616	LC/MS Pos Late	100008921	2653	762.60074	59403-51-9		24766643		HMDB07970	"59,961,768"	"63,999,320"	"67,188,576"	"73,541,912"	"60,392,952"	"66,193,108"	"61,443,520"	"70,989,248"	"49,098,092"	"55,477,480"	"57,186,000"	"52,170,096"	"60,144,464"	"62,017,156"	"71,657,864"	"63,820,456"	"65,071,484"	"71,394,496"	"69,010,656"	"73,749,936"
1782	1-palmitoyl-2-stearoyl-GPE (16:0/18:0)*	Lipid	Phosphatidylethanolamine (PE)	57388	LC/MS Pos Late	100009205	2850	720.55378		5326793	4484107		HMDB08925	"6,586,825"	"5,053,212"	"8,510,079"	"8,612,002"	"11,659,291"	"6,884,946"	"7,983,996"	"9,152,625"	"7,220,794"	"7,058,728"	"7,240,511"	"7,464,764"	"7,990,399"	"8,871,798"	"6,481,604"	"8,935,756"	"9,660,190"	"10,061,882"	"7,731,320"	"7,454,558"
1935	1-palmitoyl-GPC (16:0)	Lipid	Lysophospholipid	33955	LC/MS Pos Late	100001263	1525	496.33977	17364-16-8	86554	78064		HMDB10382	"13,300,072"	"14,389,474"	"19,304,552"	"22,610,204"	"17,504,800"	"13,908,466"	"23,196,944"	"20,903,080"	"15,941,698"	"14,556,168"	"17,889,658"	"14,440,341"	"21,771,736"	"23,327,712"	"15,404,155"	"18,530,408"	"21,989,996"	"23,676,798"	"21,331,444"	"13,464,451"
1979	1-palmitoyl-GPE (16:0)	Lipid	Lysophospholipid	35631	LC/MS Pos Late	100001567	1544	454.29282	53862-35-4	9547069	7826019		HMDB11503	"3,493,109"	"3,480,525"	"4,748,600"	"6,360,494"	"4,314,196"	"2,917,237"	"5,844,799"	"4,933,435"	"3,523,942"	"3,708,755"	"5,291,714"	"3,937,762"	"6,568,192"	"6,882,167"	"5,140,511"	"5,758,201"	"6,214,670"	"6,144,702"	"5,731,632"	"3,923,296"
2008	1-palmitoyl-GPG (16:0)*	Lipid	Lysophospholipid	45970	LC/MS Neg	100005717	5570	483.27284		3300276	2548639			"880,924"	"369,932"	"449,002"	"414,662"	"644,219"	"417,271"	"599,182"	"1,235,377"	"313,713"	"325,527"	"426,161"	"578,083"	"604,676"	"998,827"	"932,942"	"546,896"	"745,813"	"452,635"	"936,169"	"457,486"
2165	1-palmitoylglycerol (16:0)	Lipid	Monoacylglycerol	21127	LC/MS Neg	100000827	6550	255.23293	542-44-9	14900	14201		HMDB31074	"10,934,945"		"5,555,758"		"10,155,079"		"7,364,308"	"12,177,711"	"4,948,807"	"6,634,830"	"5,310,989"	"9,893,093"	"9,484,385"	"15,368,286"	"11,261,462"	"4,802,317"	"6,585,241"	"6,323,702"	"10,112,084"	"5,620,406"
1753	1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)	Lipid	Phosphatidylcholine (PC)	42450	LC/MS Pos Late	100001869	2300	810.60074	35418-59-8	16219824	17347139		HMDB08048	"369,902,080"	"341,386,272"	"403,885,856"	"467,144,000"	"354,550,080"	"352,932,960"	"325,703,008"	"403,888,384"	"291,048,160"	"324,849,600"	"323,326,592"	"332,509,056"	"354,258,144"	"386,397,280"	"391,754,592"	"363,510,912"	"373,606,624"	"448,207,552"	"381,565,216"	"360,069,344"
1819	1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)	Lipid	Phosphatidylethanolamine (PE)	52447	LC/MS Pos Late	100008977	2424	768.55378		5289133	4451158		HMDB09003	"371,322,752"	"383,759,680"	"434,482,752"	"466,436,832"	"393,769,632"	"361,171,872"	"365,724,896"	"458,508,192"	"324,862,304"	"359,692,128"	"387,622,848"	"385,948,000"	"420,575,936"	"455,328,544"	"412,865,920"	"408,623,040"	"373,058,048"	"464,943,072"	"426,913,792"	"419,902,816"
1913	1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)	Lipid	Phosphatidylinositol (PI)	52449	LC/MS Pos Late	100000616	3000	904.59096	383907-33-3		21403055		HMDB09815	"49,467,504"	"51,204,720"	"64,327,124"	"64,768,832"	"57,157,440"	"61,015,512"	"54,342,076"	"59,844,764"	"25,252,574"	"60,517,672"	"54,665,584"	"54,836,668"	"57,320,504"	"63,900,608"	"60,251,800"	"62,767,064"	"66,923,676"	"67,958,096"	"62,148,076"	"56,518,124"
1858	1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)	Lipid	Phosphatidylserine (PS)	52235	LC/MS Pos Late	100001872	2565	812.54361					HMDB12383	"58,096,420"	"50,927,260"	"65,265,536"	"74,944,736"	"60,133,952"	"53,491,200"	"53,236,960"	"66,194,256"	"47,220,188"	"51,333,336"	"56,015,752"	"55,206,088"	"60,480,900"	"63,025,568"	"61,359,512"	"62,299,916"	"56,824,780"	"71,079,248"	"65,497,732"	"55,332,864"
1766	1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6)	Lipid	Phosphatidylcholine (PC)	52611	LC/MS Pos Late	100008916	2197	834.60128	59403-52-0				HMDB08057	"19,637,676"	"18,614,208"	"20,499,100"	"24,759,044"	"17,859,256"	"18,524,832"	"16,887,808"	"19,692,710"	"12,329,145"	"16,438,794"	"16,882,838"	"16,463,895"	"16,164,387"	"15,744,187"	"16,783,648"	"15,553,338"	"16,090,941"	"17,866,520"	"16,437,734"	"16,163,345"
1835	1-stearoyl-2-docosahexaenoyl-GPE (18:0/22:6)*	Lipid	Phosphatidylethanolamine (PE)	52466	LC/MS Pos Late	100008992	2317	792.55378		9546798	7825748		HMDB05334	"10,780,480"	"10,643,805"	"11,245,961"	"12,973,422"	"9,682,499"	"8,635,708"	"9,282,565"	"11,083,322"	"6,766,472"	"8,435,532"	"9,493,040"	"9,655,931"	"8,780,941"	"8,852,703"	"9,203,113"	"8,628,299"	"8,289,343"	"9,098,726"	"8,968,672"	"9,760,263"
1737	1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*	Lipid	Phosphatidylcholine (PC)	52452	LC/MS Pos Late	100008980	2380	786.60074					HMDB08039	"548,664,704"	"608,152,064"	"738,248,320"	"781,413,952"	"624,536,896"	"584,636,672"	"625,249,792"	"656,837,312"	"509,753,504"	"566,194,368"	"633,893,120"	"598,195,072"	"647,997,120"	"678,729,792"	"701,013,696"	"638,671,552"	"669,328,896"	"761,974,976"	"719,524,544"	"675,170,560"
1806	1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*	Lipid	Phosphatidylethanolamine (PE)	52446	LC/MS Pos Late	100008976	2522	744.55378		9546749	7825699		HMDB08994	"140,603,504"	"172,513,248"	"199,904,736"	"203,629,664"	"161,352,592"	"162,249,648"	"175,786,112"	"168,725,600"	"129,777,072"	"161,337,680"	"177,078,816"	"168,935,744"	"175,905,008"	"172,822,128"	"200,841,168"	"159,236,816"	"159,838,016"	"220,885,168"	"175,910,912"	"185,661,056"
1896	1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	Lipid	Phosphatidylinositol (PI)	52468	LC/MS Pos Late	100008994	3185	880.59096			24767694		HMDB09809	"8,803,659"	"10,357,103"	"11,892,234"	"11,637,707"	"10,596,078"	"13,842,853"	"5,979,336"	"9,739,972"	"4,375,052"	"10,648,215"	"9,776,378"	"8,319,618"	"8,868,197"	"10,991,834"	"12,070,103"	"7,970,945"	"11,548,147"	"12,548,129"	"7,373,407"	"10,292,788"
1855	1-stearoyl-2-linoleoyl-GPS (18:0/18:2)	Lipid	Phosphatidylserine (PS)	53009	LC/MS Pos Late	100000642	2689	788.54361	322647-11-0	9547091	7826041			"89,542,680"	"100,724,880"	"106,223,600"	"120,926,792"	"108,123,872"	"95,152,600"	"92,071,008"	"127,303,008"	"93,383,888"	"103,162,256"	"108,714,520"	"108,369,424"	"116,814,824"	"114,183,432"	"112,681,416"	"116,713,824"	"104,525,384"	"129,015,768"	"104,817,264"	"105,908,832"
1731	1-stearoyl-2-oleoyl-GPC (18:0/18:1)	Lipid	Phosphatidylcholine (PC)	52438	LC/MS Pos Late	100008904	2644	788.61639	56421-10-4		24766704		HMDB08038	"422,636,768"	"376,787,200"	"560,404,096"	"575,362,944"	"505,789,472"	"412,367,296"	"554,849,280"	"587,884,736"	"440,357,440"	"513,088,032"	"537,860,928"	"470,426,304"	"580,854,144"	"586,811,392"	"479,607,392"	"575,275,712"	"616,397,184"	"633,003,520"	"586,843,200"	"439,089,504"
1800	1-stearoyl-2-oleoyl-GPE (18:0/18:1)	Lipid	Phosphatidylethanolamine (PE)	42448	LC/MS Pos Late	100001856	2858	746.56944					HMDB08993	"173,619,008"	"139,070,304"	"278,508,032"	"253,422,816"	"314,446,272"	"172,797,296"	"276,111,392"	"251,892,400"	"248,977,776"	"231,240,192"	"223,044,080"	"207,776,304"	"238,798,720"	"288,950,304"	"197,468,112"	"290,707,008"	"305,502,880"	"315,100,032"	"259,786,736"	"176,471,424"
1873	1-stearoyl-2-oleoyl-GPG (18:0/18:1)	Lipid	Phosphatidylglycerol (PG)	52623	LC/MS Pos Late	100001866	3714	794.59057	322647-48-3					"2,536,591"	"1,738,296"	"3,013,275"	"3,655,091"	"2,555,780"	"1,907,321"	"2,394,924"	"2,950,096"	"1,292,540"	"2,632,281"	"2,551,310"	"2,403,847"	"3,080,141"	"3,067,308"	"2,083,479"	"3,379,603"	"3,146,838"	"3,177,721"	"2,809,522"	"1,652,046"
1894	1-stearoyl-2-oleoyl-GPI (18:0/18:1)*	Lipid	Phosphatidylinositol (PI)	52726	LC/MS Pos Late	100009181	3711	882.60661						"9,767,004"	"8,661,215"	"13,274,132"	"14,324,183"	"14,880,587"	"11,092,158"	"14,320,410"	"16,610,805"	"5,631,332"	"13,496,827"	"15,127,714"	"12,595,476"	"17,342,704"	"17,467,076"	"11,116,426"	"18,698,128"	"17,771,972"	"18,081,004"	"16,299,008"	"11,800,050"
1853	1-stearoyl-2-oleoyl-GPS (18:0/18:1)	Lipid	Phosphatidylserine (PS)	19265	LC/MS Pos Late	100000639	3000	790.55926		9547087	7826037		HMDB10163	"56,114,852"	"56,751,924"	"60,064,720"	"75,866,032"	"67,371,448"	"52,685,084"	"56,190,564"	"78,373,256"	"53,175,644"	"68,102,928"	"67,422,128"	"67,573,696"	"70,883,504"	"72,685,576"	"61,228,112"	"73,609,336"	"68,190,960"	"82,507,936"	"70,967,296"	"62,583,104"
1942	1-stearoyl-GPC (18:0)	Lipid	Lysophospholipid	33961	LC/MS Pos Late	100001271	1606	524.37107	19420-57-6	497299	435389		HMDB10384	"15,073,739"	"15,649,278"	"20,541,884"	"24,551,648"	"14,977,418"	"13,235,764"	"20,018,924"	"19,452,424"	"13,184,333"	"13,345,942"	"15,508,310"	"11,977,000"	"18,960,478"	"21,441,584"	"16,738,537"	"16,938,964"	"23,961,506"	"23,295,524"	"22,254,124"	"13,934,861"
1984	1-stearoyl-GPE (18:0)	Lipid	Lysophospholipid	42398	LC/MS Pos Late	100001461	1626	482.32412	69747-55-3	9547068	7826018		HMDB11130	"27,695,666"	"24,670,172"	"36,602,632"	"43,675,528"	"29,698,010"	"23,270,588"	"36,095,968"	"34,810,536"	"22,631,436"	"25,895,860"	"32,610,982"	"26,226,340"	"39,847,376"	"41,087,108"	"35,911,572"	"36,646,924"	"44,527,736"	"41,446,880"	"39,632,664"	"29,041,504"
2010	1-stearoyl-GPG (18:0)	Lipid	Lysophospholipid	34437	LC/MS Neg	100001462	5816	511.30414			21403138			"850,682"	"537,732"	"422,122"	"431,453"	"752,338"	"302,966"	"507,871"	"1,845,869"	"224,067"	"277,569"	"302,078"	"491,639"	"402,005"	"797,613"	"852,056"	"519,384"	"810,262"	"641,728"	"800,994"	"516,990"
2018	1-stearoyl-GPI (18:0)	Lipid	Lysophospholipid	19324	LC/MS Neg	100000656	5794	599.32018	796963-93-4		21403067		HMDB61696	"1,538,646"	"6,662,333"	"1,172,735"	"1,559,603"	"3,339,277"	"1,645,788"	"2,090,055"	"10,426,177"	"731,629"	"536,178"	"634,698"	"1,236,135"	"777,009"	"1,685,611"	"1,763,298"	"1,113,405"	"2,822,191"	"1,945,750"	"1,647,640"	"2,589,437"
2003	1-stearoyl-GPS (18:0)*	Lipid	Lysophospholipid	45966	LC/MS Pos Late	100004327	1634	526.31395		9547101	7826051			"3,087,681"	"2,434,479"	"3,488,364"	"5,029,766"	"3,456,579"	"2,952,367"	"2,981,355"	"3,875,443"	"2,620,072"	"2,948,410"	"2,932,754"	"2,917,012"	"3,980,649"	"4,252,947"	"3,865,814"	"3,865,723"	"4,720,824"	"4,730,597"	"4,358,408"	"3,658,956"
1130	10-heptadecenoate (17:1n7)	Lipid	Long Chain Fatty Acid	33971	LC/MS Neg	100001278	5555	267.23295	29743-97-3	5312435	4471860		HMDB60038	"23,342,756"	"4,072,922"	"6,302,989"	"6,507,987"	"15,356,253"	"4,433,873"	"7,917,221"	"19,014,848"	"5,996,832"	"4,316,645"	"6,555,527"	"17,950,658"	"10,257,282"	"20,259,012"	"11,278,699"	"7,890,805"	"9,261,208"	"7,068,036"	"18,597,072"	"4,386,655"
1142	10-nonadecenoate (19:1n9)	Lipid	Long Chain Fatty Acid	33972	LC/MS Neg	100001277	5780	295.26425	73033-09-7	5312513	4471938		HMDB13622	"17,780,716"	"3,059,979"	"5,162,071"	"5,817,454"	"11,045,190"	"3,508,980"	"5,367,099"	"13,671,257"	"4,630,478"	"3,963,881"	"5,325,659"	"15,218,070"	"7,983,365"	"14,521,341"	"7,424,671"	"5,550,771"	"6,568,137"	"5,003,299"	"12,988,074"	"2,813,341"
1447	13-HODE + 9-HODE	Lipid	"Fatty Acid, Monohydroxy"	37752	LC/MS Neg	100002196	5275	295.22825		43013				"1,047,559"	"771,022"	"512,100"	"570,818"	"724,746"	"1,043,713"	"733,965"	"281,631"	"537,545"	"579,422"	"752,573"	"908,538"	"559,400"	"1,096,757"	"977,214"	"685,584"	"719,955"	"1,072,186"	"834,986"	"479,484"
1238	15-methylpalmitate	Lipid	"Fatty Acid, Branched"	38768	LC/MS Neg	100002945	5695	269.24868		17903417				"13,869,602"	"3,249,108"	"4,721,518"	"4,439,918"	"8,897,168"	"3,705,519"	"4,899,167"	"13,789,367"	"3,976,992"	"3,899,153"	"4,974,271"	"12,486,734"	"6,446,114"	"11,073,156"	"7,022,196"	"4,732,378"	"6,355,596"	"4,515,375"	"9,885,589"	"3,971,480"
1241	17-methylstearate	Lipid	"Fatty Acid, Branched"	38296	LC/MS Neg	100002356	5993	297.2799	2724-59-6	3083779	2340933		HMDB37397	"1,514,074"	"444,571"	"570,290"	"578,769"	"1,143,768"	"438,563"	"635,891"	"1,471,378"	"557,937"	"438,866"	"572,116"	"1,218,252"	"785,765"	"1,331,264"	"720,293"	"699,679"	"801,701"	"563,073"	"1,148,822"	"380,632"
3301	2'-deoxyguanosine	Nucleotide	"Purine Metabolism, Guanine containing"	1411	LC/MS Neg	348	1751	266.08948	961-07-9	187790	163230	C00330	HMDB00085	"95,946"	"108,110"	"91,992"	"99,022"	"72,907"			"50,279"	"29,796"		"81,208"	"52,041"	"84,168"	"112,098"		"49,266"		"77,863"	"101,360"	"32,413"
3235	2'-deoxyinosine	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	15076	LC/MS Neg	100000135	1688	251.07857	890-38-0	65058	58569	C05512	HMDB00071	"204,068"	"259,524"	"222,714"	"414,265"	"207,056"	"80,594"	"166,284"	"172,613"	"325,204"	"98,962"	"132,022"	"157,916"	"189,294"	"274,940"	"94,105"	"129,325"	"282,718"	"218,554"	"257,062"	"92,565"
3332	2'-deoxyuridine	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	1412	LC/MS Polar	536	1100	273.07281	951-78-0	13712	13118	C00526	HMDB00012	"78,191"	"67,580"	"90,687"	"122,237"	"308,756"	"81,212"	"96,550"	"101,582"	"110,915"	"60,945"	"88,928"	"162,590"	"67,697"	"71,106"		"108,074"	"135,746"	"142,465"	"194,401"	"95,451"
3356	2'-O-methylcytidine	Nucleotide	"Pyrimidine Metabolism, Cytidine containing"	57554	LC/MS Pos Early	100010895	2411	258.10845	2140-72-9	150971	133067			"356,453"	"117,932"	"336,948"	"338,623"	"315,564"	"210,353"	"312,225"	"282,719"	"399,890"	"414,655"	"349,537"	"408,098"	"251,396"	"231,848"	"157,889"	"333,754"	"256,879"	"374,359"	"510,727"	"313,466"
95	2-aminoadipate	Amino Acid	Lysine Metabolism	6146	LC/MS Polar	381	3500	160.06153	542-32-5;1118-90-7	469	456	C00956	HMDB00510	"417,278"	"191,943"	"359,074"	"525,444"	"453,133"	"293,408"	"452,480"	"458,199"	"501,525"	"526,623"	"202,509"	"167,074"	"566,671"	"499,732"	"376,565"	"489,257"	"501,097"	"423,374"	"455,165"	"301,337"
4484	2-aminophenol sulfate	Xenobiotics	Chemical	43266	LC/MS Neg	100004322	1677	188.0023		181670	158022		HMDB61116	"4,413,757"	"5,058,863"	"3,278,842"	"6,074,636"	"2,077,406"	"2,258,806"	"2,992,297"	"2,014,925"	"5,361,668"	"2,839,286"	"998,256"	"957,638"	"2,955,012"	"4,357,727"	"2,898,223"	"2,922,301"	"3,238,140"	"2,714,625"	"2,804,126"	"1,905,725"
1259	2-hydroxyadipate	Lipid	"Fatty Acid, Dicarboxylate"	31934	LC/MS Polar	100001153	3000	161.04554	18294-85-4	193530	167943	C02360	HMDB00321	"555,373"		"489,217"	"871,514"	"512,871"	"476,509"	"493,110"	"392,229"	"1,237,177"	"405,065"	"353,217"	"397,002"	"718,818"	"580,468"	"333,539"	"561,565"	"396,854"	"506,976"	"586,595"	"261,086"
419	2-hydroxybutyrate/2-hydroxyisobutyrate	Amino Acid	Glutathione Metabolism	52281	LC/MS Polar	100008928	1258	103.04006						"733,295"	"186,164"	"439,002"	"554,376"	"660,899"	"321,569"	"446,556"	"574,932"	"503,812"	"720,048"	"500,861"	"325,823"	"435,700"	"363,258"	"215,033"	"342,469"	"327,073"	"724,338"	"333,462"	"260,066"
1255	2-hydroxyglutarate	Lipid	"Fatty Acid, Dicarboxylate"	37253	LC/MS Pos Early	100002070	958	131.03389	40951-21-1	43	42	C02630	HMDB00606	"590,664"	"449,800"	"288,409"	"502,220"	"507,507"	"442,140"	"590,499"	"519,156"	"665,631"	"497,855"	"424,716"	"480,142"	"583,042"	"642,694"	"477,272"	"593,290"	"539,817"	"587,134"	"647,737"	"407,215"
1420	2-hydroxypalmitate	Lipid	"Fatty Acid, Monohydroxy"	35675	LC/MS Neg	100001579	5511.2	271.22786	764-67-0	92836	83805		HMDB31057	"5,797,251"	"1,250,668"	"2,247,527"	"2,537,850"	"4,647,521"	"2,225,656"	"1,669,529"	"4,902,748"	"2,245,714"	"1,806,104"	"1,863,021"	"4,504,308"	"2,399,988"	"4,693,193"	"3,004,103"	"2,744,438"	"3,155,375"	"2,504,910"	"4,208,033"	"2,073,956"
1421	2-hydroxystearate	Lipid	"Fatty Acid, Monohydroxy"	17945	LC/MS Neg	1239	5695	299.25917	629-22-1	69417	62625	C03045		"3,116,663"	"1,176,585"	"1,225,411"	"2,156,938"	"2,619,861"	"1,508,407"	"1,080,554"	"3,974,891"	"1,023,683"	"1,446,292"	"906,525"	"2,778,407"	"868,735"	"1,838,742"	"1,960,546"	"1,349,812"	"1,756,263"	"1,232,914"	"2,040,146"	"1,813,413"
2184	2-linoleoylglycerol (18:2)	Lipid	Monoacylglycerol	32506	LC/MS Neg	100000987	6250	279.23293	3443-82-1	5365676	4517636		HMDB11538	"692,807"		"1,001,330"		"597,071"		"413,538"	"492,073"			"285,278"	"842,928"	"716,853"	"1,606,950"	"575,091"	"486,176"		"339,046"	"726,537"	"215,000"
284	2-methylbutyrylcarnitine (C5)	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	45095	LC/MS Pos Early	100001509	3035	246.16999	31023-25-3	6426901	4932320		HMDB00378	"3,057,711"	"1,658,047"	"2,711,994"	"2,140,563"	"1,509,813"	"2,103,753"	"2,111,379"	"1,551,492"	"2,345,449"	"3,007,072"	"1,794,868"	"1,788,801"	"1,602,962"	"1,483,000"	"3,099,511"	"1,661,786"	"1,489,254"	"1,554,058"	"1,483,686"	"1,788,373"
1089	2-methylcitrate/homocitrate	Energy	TCA Cycle	52282	LC/MS Neg	100008929	575	205.03538						"192,289"	"271,119"	"222,074"	"211,075"	"213,812"	"247,132"	"232,630"	"228,700"	"255,382"	"193,656"	"207,456"	"202,246"	"165,681"	"191,213"	"195,269"	"187,506"	"142,073"	"127,235"	"130,120"	"149,203"
2183	2-oleoylglycerol (18:1)	Lipid	Monoacylglycerol	21232	LC/MS Neg	100000943	6500	281.24858	3443-84-3	5319879	4478086		HMDB11537	"6,969,551"		"2,177,441"	"2,360,046"	"7,275,147"		"4,747,486"	"8,100,416"	"3,343,040"	"25,607,076"	"3,284,530"	"7,626,826"	"6,695,774"	"12,077,366"	"7,924,720"	"2,863,474"	"4,971,241"	"2,891,440"	"6,543,912"	"1,980,640"
353	2-oxoarginine*	Amino Acid	Urea cycle; Arginine and Proline Metabolism	55072	LC/MS Pos Early	100002784	1760	174.08732	04/10/3715	558	542	C03771	HMDB04225	"842,384"	"667,591"	"880,637"	"739,778"	"657,818"	"752,669"	"728,371"	"677,501"	"808,777"	"951,298"	"690,669"	"684,678"	"671,183"	"672,700"	"713,347"	"957,420"	"653,237"	"544,871"	"669,885"	"678,494"
1938	2-palmitoleoyl-GPC (16:1)*	Lipid	Lysophospholipid	35819	LC/MS Pos Late	100001561	1425	494.32412			21403164		HMDB10383	"209,680"	"287,002"	"444,294"	"444,971"	"393,460"	"308,370"	"639,084"	"478,659"	"434,330"	"491,300"	"488,765"	"262,443"	"575,647"	"501,199"	"459,958"	"482,159"	"549,211"	"496,567"	"374,621"	"228,637"
2181	2-palmitoleoylglycerol (16:1)*	Lipid	Monoacylglycerol	52432	LC/MS Neg	100008953	6016	253.21727					HMDB11565	"2,054,649"		"542,618"	"659,908"	"2,060,624"	"455,774"	"576,871"	"1,996,201"			"5,295,944"	"3,592,122"		"3,650,325"	"1,459,701"	"1,644,117"		"935,172"	"3,951,542"	
1936	2-palmitoyl-GPC (16:0)*	Lipid	Lysophospholipid	35253	LC/MS Neg	100001562	6215	570.34125		15061532	21403165		HMDB61702		"288,563"	"253,200"	"330,551"	"518,037"	"122,244"	"289,363"	"1,417,710"			"125,963"		"216,078"	"367,209"	"481,833"	"222,323"	"311,682"	"181,155"	"212,826"	"168,794"
2180	2-palmitoylglycerol (16:0)	Lipid	Monoacylglycerol	33419	LC/MS Neg	100001048	6400	255.23293	23470-00-0	123409	110006		HMDB11533	"2,437,444"		"1,387,725"		"2,369,717"		"2,067,718"	"1,501,593"		"2,157,590"	"1,663,584"	"2,965,067"	"2,401,730"	"5,697,175"	"2,367,282"	"1,673,348"		"2,231,395"	"2,916,447"	
1985	2-stearoyl-GPE (18:0)*	Lipid	Lysophospholipid	41220	LC/MS Neg	100003901	6350	480.30956			24769218		HMDB11129	"1,250,520"	"2,656,972"	"711,045"	"2,572,811"	"1,520,273"	"532,741"	"737,478"	"6,164,332"	"679,833"	"446,105"	"671,817"	"843,009"	"702,774"	"815,784"	"1,692,721"	"667,700"	"664,399"	"711,980"	"1,005,644"	"707,184"
136	3-(4-hydroxyphenyl)lactate	Amino Acid	Tyrosine Metabolism	32197	LC/MS Neg	240	1379	181.05063	6482-98-0	9378	9010	C03672	HMDB00755	"262,443"	"668,602"	"548,335"	"422,531"	"191,183"	"628,786"	"601,820"	"209,200"	"386,984"	"520,067"	"404,753"	"141,049"	"209,364"	"309,116"	"408,499"	"154,391"	"658,986"	"245,501"	"223,026"	"382,175"
3369	3-aminoisobutyrate	Nucleotide	"Pyrimidine Metabolism, Thymine containing"	1566	LC/MS Pos Early	1114	2190	104.07061	10569-72-9;214139-20-5	64956	58481	C05145	HMDB03911	"7,240,901"	"2,963,397"	"5,866,984"	"6,076,022"	"8,553,743"	"4,130,659"	"8,309,925"	"6,636,515"	"10,384,860"	"8,054,151"	"4,629,590"	"5,982,204"	"8,514,231"	"9,652,551"	"3,919,500"	"7,887,012"	"5,483,631"	"7,557,051"	"8,208,930"	"3,656,095"
2403	3-hydroxy-3-methylglutarate	Lipid	Mevalonate Metabolism	531	LC/MS Polar	112	2850	161.04555	503-49-1	1662	4573695	C03761	HMDB00355	"3,739,749"	"2,893,294"	"3,345,179"	"4,913,718"	"4,777,254"	"3,217,721"	"3,295,993"	"3,641,337"	"6,056,357"	"4,307,765"	"2,454,404"	"2,856,600"	"3,736,444"	"2,746,926"	"1,976,609"	"3,594,671"	"3,062,778"	"3,653,842"	"4,261,922"	"2,678,456"
1401	3-hydroxybutyrate (BHBA)	Lipid	Ketone Bodies	542	LC/MS Polar	254	1444	103.04007	625-72-9	441	428	C01089	HMDB00357	"2,551,660"	"1,280,898"	"1,666,696"	"1,769,795"	"2,629,710"	"1,161,636"	"2,010,356"	"2,350,222"	"3,305,478"	"2,265,394"	"2,440,426"	"2,445,771"	"3,148,629"	"2,336,253"	"1,039,754"	"2,630,978"	"2,428,455"	"2,443,915"	"2,027,981"	"1,241,211"
1347	3-hydroxybutyrylcarnitine (1)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	43264	LC/MS Pos Early	100003926	2400	248.14925		53481617			HMDB13127	"1,227,702"	"1,445,551"	"1,999,823"	"1,665,909"	"1,878,916"	"1,174,122"	"2,153,775"	"1,714,364"	"2,004,282"	"2,312,438"	"1,566,755"	"1,240,239"	"2,101,253"	"1,853,867"	"1,455,685"	"2,432,051"	"1,865,777"	"2,115,731"	"1,704,453"	"1,437,722"
1348	3-hydroxybutyrylcarnitine (2)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	52984	LC/MS Pos Early	100009271	2340	248.14925					HMDB13127	"1,992,187"	"2,163,601"	"3,147,348"	"3,103,678"	"2,137,706"	"2,018,482"	"2,126,894"	"1,962,915"	"2,674,189"	"4,223,216"	"2,731,532"	"1,791,886"	"2,517,174"	"2,227,034"	"2,286,264"	"3,210,721"	"2,546,882"	"2,808,004"	"2,935,736"	"3,747,548"
1429	3-hydroxydecanoate	Lipid	"Fatty Acid, Monohydroxy"	22053	LC/MS Neg	100000997	4634.7	187.13396	5561-87-5	26612	24790		HMDB02203								"56,695"	"175,322"	"51,038"			"67,075"			"65,094"		"85,109"	"71,600"	"58,261"
306	3-hydroxyisobutyrate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	1549	LC/MS Polar	111	1619	103.04007	2068-83-9	87	10140307	C06001	HMDB00336	"269,757"	"334,075"	"373,637"		"569,572"	"303,941"	"207,960"	"429,386"	"378,793"	"313,240"	"472,058"	"394,157"	"251,748"	"358,750"	"213,308"	"433,692"	"351,589"		"181,274"	"230,379"
1431	3-hydroxylaurate	Lipid	"Fatty Acid, Monohydroxy"	32457	LC/MS Neg	100001112	5175	215.16526	53941-38-1	94216	85026		HMDB00387	"120,163"		"170,353"		"184,843"	"124,419"	"134,578"	"105,099"	"287,813"	"181,813"	"137,971"	"156,456"	"187,484"	"161,113"	"128,447"	"154,818"	"167,868"	"187,434"	"219,372"	"129,517"
301	3-methyl-2-oxobutyrate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	44526	LC/MS Polar	100000936	911	115.04006	3715-29-5	49	48	C00141	HMDB00019	"541,484"	"234,637"	"372,389"	"577,175"	"919,359"	"166,989"	"171,002"	"342,846"	"375,164"	"278,686"	"245,068"	"382,782"	"172,264"	"117,245"	"194,616"	"192,002"		"181,263"	"216,905"	"178,286"
265	3-methylglutaconate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	57747	LC/MS Polar	100002458	2700	99.04518	5746-90-7	1551553	1267861		HMDB00522	"141,139"	"147,563"	"195,694"	"178,213"	"193,343"	"175,335"	"198,512"	"133,733"	"243,355"	"231,478"	"132,953"	"107,695"	"154,703"	"147,921"	"151,967"	"207,027"	"135,407"	"221,034"	"198,942"	"153,200"
892	3-phosphoglycerate	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	1414	LC/MS Neg	132	583	184.98566	80731-10-8	724	10669764	C00597	HMDB00807	"4,150,725"	"1,859,039"	"1,638,447"	"5,744,697"	"1,563,003"	"706,679"	"765,980"	"1,667,700"	"1,616,924"	"1,083,633"	"2,633,021"	"4,002,475"	"3,294,116"	"4,230,648"	"1,916,797"	"2,761,347"	"19,703,246"	"13,763,312"	"28,130,526"	"8,600,018"
344	3-sulfo-L-alanine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	47089	LC/MS Polar	382	2890	167.99722	498-40-8	72886	65718	C00506	HMDB02757	"341,008"	"341,547"	"454,388"	"303,247"	"160,155"	"356,360"	"277,927"	"166,924"	"240,514"	"233,642"	"120,286"	"102,063"	"194,662"	"162,294"	"249,743"	"203,992"	"200,730"	"171,371"	"310,535"	"326,716"
3335	3-ureidopropionate	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	3155	LC/MS Pos Early	1053	875	133.06077	462-88-4	111	109	C02642	HMDB00026	"5,620,953"	"1,792,482"	"4,279,916"	"5,510,495"	"6,446,345"	"2,376,931"	"5,399,865"	"4,203,988"	"5,940,653"	"4,813,871"	"4,420,110"	"5,313,065"	"5,471,853"	"5,441,562"	"1,984,809"	"5,055,762"	"3,795,991"	"5,758,009"	"4,930,969"	"2,370,380"
401	4-acetamidobutanoate	Amino Acid	Polyamine Metabolism	1558	LC/MS Polar	1113	1925	144.06661	3025-96-5	18189	17180	C02946	HMDB03681	"253,608"	"223,200"	"521,162"	"317,212"	"269,682"	"190,095"	"239,503"	"233,746"	"497,856"	"281,042"	"218,906"	"279,553"	"374,223"	"352,612"	"134,525"	"414,017"	"351,808"	"423,669"	"342,086"	"198,993"
2441	4-cholesten-3-one	Lipid	Sterol	38125	LC/MS Pos Late	100002227	2520	385.3465	601-57-0	91477	427	C00599	HMDB00921	"519,309"	"257,622"	"425,899"	"474,602"	"563,240"	"280,682"	"407,144"	"422,899"	"363,275"	"371,940"	"375,519"	"424,528"	"500,205"	"451,030"	"288,423"	"488,618"	"455,519"	"474,866"	"421,308"	"250,793"
405	4-guanidinobutanoate	Amino Acid	Guanidino and Acetamido Metabolism	15681	LC/MS Pos Early	100000096	2320	146.09241	463-003;463-00-3	500	486	C01035	HMDB03464	"22,187,396"	"17,804,122"	"22,650,756"	"23,009,968"	"19,587,446"	"27,049,312"	"24,662,552"	"17,605,868"	"24,323,844"	"24,410,452"	"12,019,598"	"11,033,960"	"20,565,180"	"20,686,732"	"22,766,946"	"20,114,144"	"12,607,968"	"15,237,987"	"14,798,452"	"14,781,308"
424	4-hydroxy-nonenal-glutathione	Amino Acid	Glutathione Metabolism	48504	LC/MS Neg	100006240	3387.5	462.19156	99927-70-5					"103,201"	"89,473"	"92,413"	"46,927"	"64,036"	"60,570"	"77,473"	"76,813"	"79,716"	"48,559"	"47,437"	"52,978"	"53,306"	"64,122"	"68,312"	"53,903"	"98,255"	"78,274"	"71,998"	"49,229"
3499	4-hydroxyhippurate	Xenobiotics	Benzoate Metabolism	35527	LC/MS Neg	100001423	1475	194.04588	2482-25-9	151012	133104		HMDB13678	"302,913"	"203,608"	"377,903"	"546,819"	"278,806"	"389,329"	"384,769"	"233,895"	"752,327"	"807,941"	"440,904"	"311,228"	"450,844"	"523,502"	"346,336"	"744,925"	"707,383"	"406,810"	"347,108"	"444,412"
78	4-imidazoleacetate	Amino Acid	Histidine Metabolism	32349	LC/MS Pos Early	100001207	2055	127.05021	645-65-8	96215	86856	C02835	HMDB02024	"1,414,655"	"576,936"	"1,044,845"	"1,282,364"	"601,333"	"503,130"	"722,553"	"473,446"	"779,124"	"835,850"	"601,731"	"630,833"	"801,412"	"738,586"	"600,610"	"814,233"	"637,346"	"669,418"	"711,320"	"494,496"
247	4-methyl-2-oxopentanoate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	22116	LC/MS Neg	100000551	2170	129.05571	816-66-0	70	69	C00233	HMDB00695	"689,667"		"436,797"	"535,323"	"284,914"	"199,924"	"321,328"	"290,001"	"295,021"	"206,410"	"290,458"	"456,988"	"189,382"		"228,627"	"255,359"			"159,773"	"207,826"
93	5-(galactosylhydroxy)-L-lysine	Amino Acid	Lysine Metabolism	43582	LC/MS Pos Early	100002462	2755	325.16055	32448-36-5					"306,650"	"202,491"	"329,524"	"367,982"	"404,699"	"318,854"	"337,596"	"471,806"	"501,000"	"368,508"	"391,807"	"453,302"	"512,879"	"415,318"	"283,983"	"487,180"	"324,102"	"351,766"	"401,843"	"211,416"
107	5-aminovalerate	Amino Acid	Lysine Metabolism	18319	LC/MS Pos Early	100000454	2220	118.08626	660-88-8	138	135	C00431	HMDB03355	"9,260,216"	"4,269,783"	"7,154,083"	"7,253,599"	"5,183,394"	"6,192,975"		"4,181,147"		"4,417,614"	"5,086,465"	"4,757,117"	"5,560,806"		"4,334,555"	"5,225,015"	"4,011,049"	"5,788,340"	"4,304,879"	"2,420,584"
1119	5-dodecenoate (12:1n7)	Lipid	Medium Chain Fatty Acid	33968	LC/MS Neg	100001232	5224	197.1547	2430-94-6	5312378	4471803		HMDB00529	"414,651"		"228,998"		"214,367"		"428,438"	"685,723"	"305,504"	"162,402"	"191,118"	"516,192"	"779,986"		"234,867"	"241,030"		"777,926"	"486,042"	"148,247"
92	5-hydroxylysine	Amino Acid	Lysine Metabolism	15685	LC/MS Pos Early	100000054	2790	163.10772	13204-98-3	1029	1002	C16741	HMDB00450	"1,274,907"	"1,098,380"	"1,432,851"	"1,222,238"	"756,447"	"1,370,953"	"444,407"	"1,054,386"	"905,418"	"1,095,912"		"415,744"	"337,580"	"500,481"	"850,740"	"732,483"	"870,661"	"768,764"	"818,956"	"1,044,434"
3443	5-methyltetrahydrofolate (5MeTHF)	Cofactors and Vitamins	Folate Metabolism	18330	LC/MS Neg	1244	1820	458.17935	68703-91-3;68792-52-9	146	143	C00440	HMDB01396	"276,796"	"112,917"	"209,856"	"309,977"	"287,261"	"104,947"	"171,990"	"259,769"	"220,125"	"133,282"	"117,614"	"260,745"	"204,022"	"195,009"	"84,197"	"252,735"	"283,441"	"347,860"	"351,259"	"130,317"
396	5-methylthioadenosine (MTA)	Amino Acid	Polyamine Metabolism	1419	LC/MS Pos Early	212	2752	298.09684	2457-80-9	439176	388321	C00170	HMDB01173	"57,492,656"	"18,525,158"	"63,513,768"	"67,546,304"	"68,024,736"	"43,039,492"	"82,429,080"	"61,801,384"	"69,863,296"	"63,274,120"	"58,436,752"	"57,095,272"	"84,255,904"	"79,425,640"	"53,132,648"	"99,591,872"	"58,642,720"	"63,800,096"	"61,231,368"	"38,115,848"
3321	5-methyluridine (ribothymidine)	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	35136	LC/MS Neg	100001446	1778.1	257.07791	1463-10-1	445408	393058		HMDB00884	"44,030"	"59,657"	"74,784"	"107,314"	"59,937"	"63,691"	"105,162"	"51,153"	"127,023"	"37,490"	"48,836"	"43,146"	"51,837"	"50,566"		"22,761"	"91,207"	"59,847"	"78,737"	"38,284"
416	5-oxoproline	Amino Acid	Glutathione Metabolism	1494	LC/MS Neg	1021	738.5	128.03531	98-79-3	7405	7127	C01879	HMDB00267	"28,326,032"	"25,716,072"	"32,896,120"	"29,265,072"	"26,247,508"	"23,853,446"	"30,594,002"	"26,628,818"	"27,874,640"	"29,832,584"	"28,519,096"	"29,228,294"	"24,901,540"	"24,741,010"	"23,550,878"	"29,315,598"	"31,303,720"	"29,426,924"	"27,986,526"	"23,890,976"
901	6-phosphogluconate	Carbohydrate	Pentose Phosphate Pathway	15442	LC/MS Neg	100000341	583.9	275.01735	921-62-0;53411-70-4	91493	82615	C00345	HMDB01316	"54,948,520"	"32,948,886"	"46,584,924"	"68,265,344"	"50,309,804"	"28,053,996"	"26,413,576"	"40,801,264"	"42,881,896"	"35,985,208"	"26,950,980"	"29,041,738"	"32,063,662"	"32,713,396"	"22,811,636"	"47,374,048"	"57,190,468"	"59,945,088"	"68,135,480"	"45,686,072"
2428	7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)	Lipid	Sterol	36776	LC/MS Neg	100001609	5288.1	429.30103	115538-85-7	3081085	2338765	C17337	HMDB12458	"285,764"		"432,785"	"225,640"	"566,485"	"312,975"	"1,046,050"	"367,754"	"386,569"	"779,486"	"642,785"	"271,997"	"1,064,854"	"824,500"	"445,758"	"1,299,601"	"950,873"	"523,095"	"613,497"	"192,981"
2420	7-dehydrocholesterol	Lipid	Sterol	1099	LC/MS Pos Late	264	2467	367.33594	434-16-2	439423	388534	C01164	HMDB00032		"89,178"				"154,719"	"165,888"	"147,243"	"294,348"			"221,181"	"399,337"	"366,600"	"96,741"		"112,608"		"121,310"	"90,357"
2461	7-hydroxycholesterol (alpha or beta)	Lipid	Sterol	47890	LC/MS Pos Late	100005999	1930	367.33594		107722			HMDB06119	"823,773"	"787,351"	"1,003,736"	"1,008,304"	"759,931"	"919,105"	"694,930"	"936,069"	"760,760"	"1,015,816"	"1,013,371"	"1,002,221"	"636,773"	"775,323"	"971,901"	"944,070"	"989,901"	"942,817"	"910,095"	"1,361,864"
3287	7-methylguanine	Nucleotide	"Purine Metabolism, Guanine containing"	35114	LC/MS Pos Early	100001456	2175	166.07234	578-76-7	11361	10883	C02242	HMDB00897	"394,190"	"163,438"	"347,523"	"376,701"	"345,887"	"257,582"	"337,832"	"316,167"	"356,514"	"399,551"	"403,571"	"471,257"	"312,331"	"301,460"	"228,425"	"268,205"	"324,061"	"374,469"	"555,700"	"383,670"
1346	acetylcarnitine (C2)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	32198	LC/MS Pos Early	100000802	2282	204.12304	5080-50-2	1	5406074	C02571	HMDB00201	"91,005,864"	"36,972,248"	"128,571,296"	"119,809,048"	"116,307,208"	"44,997,168"	"97,743,888"	"134,076,440"	"204,509,872"	"176,184,096"	"120,944,560"	"118,812,336"	"195,697,152"	"197,356,144"	"126,668,624"	"214,489,088"	"104,861,856"	"138,713,120"	"100,599,512"	"75,548,416"
1091	acetylphosphate	Energy	Oxidative Phosphorylation	15488	LC/MS Polar	1211	4013.9	138.98018	94249-01-1	186	181	C00227	HMDB01494	"1,301,552"	"1,386,468"			"1,464,103"		"766,877"	"1,752,194"				"532,302"	"874,170"	"683,054"		"1,246,403"	"929,178"	"1,928,232"	"1,411,949"	"1,919,849"
1070	aconitate [cis or trans]	Energy	TCA Cycle	46173	LC/MS Neg	100001359	580	173.00916						"977,164"	"1,279,480"	"1,247,562"	"1,109,482"	"1,566,117"	"1,382,814"	"1,442,797"	"1,606,156"	"1,408,858"	"2,073,068"	"1,403,220"	"810,328"		"902,295"	"1,478,857"	"772,069"	"636,777"	"671,948"	"623,381"	"1,062,779"
3252	adenine	Nucleotide	"Purine Metabolism, Adenine containing"	554	LC/MS Pos Early	880	2221	136.06178	73-24-5	190	185	C00147	HMDB00034	"6,830,037"	"4,180,847"	"7,285,971"	"7,108,137"	"8,123,883"	"6,336,916"	"11,041,539"	"6,094,394"	"8,445,975"	"8,547,952"	"8,106,790"	"7,085,043"	"9,680,565"	"8,747,232"	"6,831,248"	"9,146,259"	"6,730,707"	"7,428,782"	"7,911,270"	"5,644,853"
3251	adenosine	Nucleotide	"Purine Metabolism, Adenine containing"	555	LC/MS Pos Early	798	2169	268.10404	58-61-7	60961	54923	C00212	HMDB00050	"6,105,207"	"11,715,967"	"20,191,160"	"11,960,621"	"21,960,426"	"30,595,586"	"34,696,640"	"16,056,074"	"20,773,114"	"18,998,456"	"13,936,935"	"6,578,068"	"15,447,834"	"15,618,350"	"15,762,366"	"15,489,471"	"9,608,494"	"10,704,673"	"6,731,045"	"3,404,668"
3246	adenosine 2'-monophosphate (2'-AMP)	Nucleotide	"Purine Metabolism, Adenine containing"	36815	LC/MS Neg	100001694	1497.7	346.0558	130-49-4	94136		C00946	HMDB11617	"674,910"	"500,658"	"554,948"	"1,009,336"	"342,336"	"253,996"	"222,240"	"286,624"	"280,060"	"239,203"	"394,090"	"617,450"	"318,009"	"384,490"		"813,589"	"815,403"	"662,864"	"942,965"	"1,187,664"
3247	"adenosine 3',5'-cyclic monophosphate (cAMP)"	Nucleotide	"Purine Metabolism, Adenine containing"	2831	LC/MS Neg	207	1952.2	328.04524	60-92-4	6076	268	C00575	HMDB00058	"90,328"	"75,352"	"94,543"	"139,060"	"112,912"	"45,479"	"97,680"	"113,106"	"188,719"	"113,394"	"134,261"	"100,000"	"119,830"	"174,356"	"89,716"	"149,292"	"171,030"	"148,245"	"138,068"	"82,225"
3249	"adenosine 3',5'-diphosphate"	Nucleotide	"Purine Metabolism, Adenine containing"	15691	LC/MS Neg	1214	575	426.02214	75431-54-8	159296	19951095	C00054	HMDB00061	"177,198"	"223,883"	"310,209"	"234,077"	"175,519"	"277,181"	"275,278"	"188,437"	"219,829"	"233,977"	"363,089"	"227,023"	"215,882"	"162,229"	"385,104"	"171,963"	"301,660"	"240,999"	"250,045"	"311,567"
3245	adenosine 3'-monophosphate (3'-AMP)	Nucleotide	"Purine Metabolism, Adenine containing"	35142	LC/MS Neg	100001449	1245	346.0558	84-21-9	41211	10463793	C01367	HMDB03540	"945,653"	"1,349,657"	"1,374,525"	"1,475,946"	"926,064"	"988,001"	"816,032"	"947,964"	"987,538"	"523,499"	"514,564"	"432,022"	"576,217"	"742,028"	"740,010"	"619,118"	"1,397,659"	"861,170"	"782,713"	"515,918"
3243	adenosine 5'-diphosphate (ADP)	Nucleotide	"Purine Metabolism, Adenine containing"	3108	LC/MS Neg	208	680	426.02214	20398-34-9	6022	5800	C00008	HMDB01341	"3,875,432"	"1,655,736"	"1,958,609"	"2,907,768"	"4,306,026"	"2,321,432"	"2,203,912"	"7,742,539"	"5,137,749"	"3,718,407"	"3,132,234"	"5,048,574"	"3,757,051"	"6,176,512"	"4,690,283"	"4,091,012"	"2,455,297"	"2,392,088"	"1,969,980"	"1,836,815"
3398	adenosine 5'-diphosphoribose (ADP-ribose)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	558	LC/MS Neg	215	920	558.06439	68414-18-6	192	3674071	C00301	HMDB01178	"63,514"		"58,135"	"69,743"	"54,625"	"72,557"	"98,618"	"53,380"	"57,074"	"55,893"	"52,737"	"61,491"	"115,313"	"62,216"	"31,956"	"71,052"		"80,741"	"113,157"	"13,475"
3244	adenosine 5'-monophosphate (AMP)	Nucleotide	"Purine Metabolism, Adenine containing"	32342	LC/MS Neg	209	822	346.05581	149022-20-8	6083	10239183	C00020	HMDB00045	"4,072,760"	"15,661,357"	"16,711,572"	"9,693,469"	"20,477,096"	"30,687,310"	"21,866,988"	"13,896,156"	"29,389,104"	"28,078,968"	"15,822,079"	"6,104,298"	"15,246,653"	"16,390,427"	"17,770,610"	"18,200,104"	"4,623,253"	"4,252,823"	"1,885,672"	"2,324,367"
3250	adenylosuccinate	Nucleotide	"Purine Metabolism, Adenine containing"	57838	LC/MS Neg	1303	560	462.0668	19046-78-7	195	190	C03794	HMDB00536	"1,112,432"	"571,906"	"426,373"	"614,503"	"568,225"	"352,923"	"591,900"	"509,820"	"720,359"	"630,172"	"362,019"	"425,188"	"541,241"	"629,174"	"441,482"	"398,589"	"691,728"	"849,933"	"1,025,811"	"410,998"
1178	adrenate (22:4n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32980	LC/MS Neg	100001193	5678	331.26425	2091-25-0	5497181	4445971	C16527	HMDB02226	"36,522,316"	"13,819,916"	"20,836,968"	"30,291,816"	"36,762,264"	"17,907,192"	"14,744,253"	"57,933,872"	"21,371,398"	"13,981,295"	"17,213,288"	"20,073,432"	"19,955,898"	"30,734,874"	"22,786,020"	"21,426,872"	"31,220,276"	"28,527,520"	"33,165,198"	"22,274,792"
3223	AICA ribonucleotide	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	38325	LC/MS Pos Early	216	797	339.07013	3031-94-5	65110	195	C04677	HMDB01517	"102,292"	"119,291"	"240,981"	"303,757"	"321,213"		"233,978"	"272,912"	"181,365"	"212,769"	"416,047"	"173,125"	"326,075"	"240,777"	"180,417"	"331,965"	"263,927"	"356,071"	"265,878"	
28	alanine	Amino Acid	Alanine and Aspartate Metabolism	1126	LC/MS Pos Early	811	1700	90.05496	56-41-7	5950	5735	C00041	HMDB00161	"1,128,432,768"	"853,356,800"	"1,333,353,856"	"1,097,406,976"	"1,157,403,776"	"931,478,784"	"1,069,004,800"	"1,132,729,344"	"1,291,977,216"	"1,216,416,512"	"890,898,816"	"883,586,496"	"947,669,440"	"1,055,628,736"	"852,456,384"	"1,483,612,928"	"948,251,392"	"1,002,574,272"	"1,061,916,160"	"1,004,111,552"
450	alanylalanine	Peptide	Dipeptide	15129	LC/MS Polar	100000113	1818.6	159.07751	1948-31-8	5484352	4588478		HMDB28680	"3,454,315"	"1,791,274"	"3,089,867"	"4,062,434"	"3,900,017"	"2,332,822"	"2,203,075"	"3,794,153"	"5,885,746"	"3,005,818"	"2,725,132"	"3,638,917"	"3,646,492"	"3,615,376"	"2,507,184"	"5,433,127"	"4,501,958"	"6,415,002"	"5,820,506"	"2,979,658"
451	alanylarginine	Peptide	Dipeptide	37096	LC/MS Pos Early	100001898	3011	246.15607	16709-12-9	9964828	8140421			"2,156,978"	"1,518,578"	"2,211,764"	"2,522,968"	"2,952,899"	"2,335,668"	"1,643,997"	"2,947,779"	"2,936,853"	"2,190,723"	"2,025,277"	"2,157,245"	"3,016,165"	"2,827,760"	"1,729,477"	"3,641,200"	"2,377,665"	"3,125,004"	"3,273,351"	"1,447,224"
453	alanylaspartate	Peptide	Dipeptide	37107	LC/MS Pos Early	100001896	1985	205.0819	20727-65-5	426317	377195			"2,147,600"	"2,294,410"	"3,250,175"	"3,443,643"	"2,954,843"	"2,109,916"	"2,759,656"	"2,880,933"	"2,986,822"	"2,858,302"	"2,172,999"	"2,524,810"	"2,681,740"	"2,786,881"	"2,050,365"	"3,016,885"	"2,797,261"	"2,787,606"	"3,074,174"	"2,425,313"
454	alanylglutamate	Peptide	Dipeptide	37064	LC/MS Pos Early	100001895	2080	219.09755	13187-90-1	656476	570863			"2,611,059"	"1,874,395"	"2,239,633"	"2,428,405"	"2,929,874"	"2,557,392"	"1,849,423"	"2,836,373"	"2,545,072"	"2,330,271"	"1,826,428"	"2,170,793"	"2,601,128"	"2,378,462"	"2,434,264"	"2,851,432"	"2,390,930"	"2,732,143"	"3,199,748"	"2,328,900"
455	alanylglutamine	Peptide	Dipeptide	37106	LC/MS Polar	100001894	2344	216.09898	39537-23-0	542027	471999			"1,908,398"	"1,561,178"	"2,387,244"	"3,173,535"	"1,446,667"	"1,230,430"	"1,236,280"	"1,704,141"	"1,983,035"	"1,810,532"	"1,795,986"	"1,867,227"	"1,003,180"	"905,390"	"681,236"	"1,517,072"	"1,876,619"	"2,115,447"	"1,605,895"	"1,132,257"
457	alanylhistidine	Peptide	Dipeptide	37090	LC/MS Pos Early	100001892	2965	227.11387	3253-17-6	102960	93014			"4,409,661"	"2,375,135"	"3,697,372"	"4,013,960"	"3,962,603"	"2,837,107"	"3,013,942"	"3,514,347"	"3,700,537"	"3,473,938"	"2,510,537"	"2,830,584"	"3,338,631"	"3,378,298"	"2,633,478"	"4,461,626"	"3,366,339"	"4,027,826"	"4,325,317"	"3,558,081"
458	alanylisoleucine	Peptide	Dipeptide	37118	LC/MS Pos Early	100001891	2994	203.13902	29727-65-9	417358	369449		HMDB28690	"1,122,392"	"689,875"	"953,308"	"1,393,718"	"2,328,070"	"594,678"	"1,621,774"	"1,485,288"	"2,736,438"	"1,613,126"	"1,790,508"	"2,519,365"	"3,203,673"	"2,691,019"	"1,259,155"	"2,347,790"	"1,803,097"	"2,478,121"	"2,591,781"	"1,059,614"
459	alanylleucine	Peptide	Dipeptide	37093	LC/MS Pos Early	100001890	3055	203.13902	1638-60-4	259583	227831		HMDB28691	"1,326,701"	"670,899"	"1,326,743"	"1,337,069"	"1,290,771"	"842,969"	"803,096"	"1,581,435"	"1,399,041"	"1,162,808"	"756,274"	"744,123"	"1,086,660"	"1,184,397"	"925,242"	"1,709,700"	"1,120,607"	"1,529,661"	"1,678,789"	"655,942"
460	alanyllysine	Peptide	Dipeptide	42008	LC/MS Pos Early	100003518	2994	218.14992	68973-27-3	4130575	3343483			"6,389,227"	"4,031,269"	"6,093,744"	"6,630,948"	"8,477,521"	"4,949,341"	"4,967,009"	"7,772,454"	"8,486,940"	"6,308,617"	"5,094,131"	"6,647,204"	"8,216,658"	"8,110,866"	"5,521,231"	"11,684,766"	"7,530,965"	"9,888,108"	"10,776,900"	"5,261,935"
461	alanylmethionine	Peptide	Dipeptide	37065	LC/MS Neg	100001889	1710	219.08088	1999-43-5	98509;5242543	88964			"93,349"	"147,235"	"139,416"	"119,154"	"99,978"	"85,973"	"83,028"	"168,782"	"214,509"	"69,111"	"51,287"	"42,494"	"144,718"	"276,933"	"87,409"	"157,174"	"298,514"	"215,773"	"199,906"	"43,586"
462	alanylphenylalanine	Peptide	Dipeptide	38679	LC/MS Pos Early	100002700	3082	237.12337	3061-90-3	2080	1996		HMDB28694	"419,396"	"297,719"	"592,779"	"657,623"	"624,491"	"544,084"	"337,933"	"715,374"	"587,396"	"495,892"	"250,879"	"375,185"	"459,748"	"603,250"	"457,210"	"694,654"	"430,287"	"633,749"	"751,439"	"212,321"
463	alanylproline	Peptide	Dipeptide	37083	LC/MS Pos Early	100001888	2423	187.10772	13485-59-1	418040	370068		HMDB28695	"16,480,294"	"12,409,413"	"15,069,106"	"15,607,733"	"17,382,206"	"12,345,928"	"9,312,603"	"16,870,372"	"14,573,351"	"14,139,071"	"8,948,736"	"11,050,461"	"11,600,238"	"11,075,034"	"11,026,355"	"20,823,676"	"14,073,666"	"15,942,177"	"15,807,312"	"13,042,240"
464	alanylserine	Peptide	Dipeptide	37079	LC/MS Pos Early	100001887	1885	177.08699	3062-19-9	96821	87421		HMDB28696	"346,909"	"309,936"	"313,411"	"418,959"	"426,006"	"271,872"	"200,836"	"572,911"	"617,615"		"302,998"	"489,309"	"506,444"	"682,662"	"424,269"	"443,761"	"500,652"	"792,461"	"1,067,322"	"326,323"
465	alanylthreonine	Peptide	Dipeptide	37085	LC/MS Pos Early	100001886	2055	191.10264	24032-50-6	426318	377196		HMDB28697	"2,074,814"	"1,261,663"	"1,662,293"	"2,204,793"	"2,772,820"	"1,304,918"	"1,635,961"	"2,435,444"	"2,574,022"	"1,798,505"	"1,960,460"	"2,620,695"	"2,893,357"	"2,844,917"	"1,461,526"	"2,917,283"	"2,648,244"	"3,225,589"	"3,402,183"	"1,579,726"
467	alanyltyrosine	Peptide	Dipeptide	37098	LC/MS Pos Early	100001885	2637	253.11829	3061-88-9	572319;4099800	497607			"577,135"	"551,463"	"505,289"	"858,227"	"789,794"	"1,006,214"	"504,961"	"529,569"	"426,303"	"189,229"	"222,479"	"247,743"	"476,605"	"539,149"	"861,030"	"657,792"	"387,740"	"587,748"	"682,294"	"339,138"
468	alanylvaline	Peptide	Dipeptide	37084	LC/MS Neg	100001884	1620	187.10881	3303-45-5	137276	120970		HMDB28700	"172,688"	"148,588"	"179,603"	"234,042"	"246,389"	"223,117"	"120,641"	"220,912"	"346,145"	"165,027"	"84,882"	"106,819"	"186,240"	"387,077"	"172,917"	"243,769"	"360,244"	"269,688"	"261,537"	"108,800"
3238	allantoin	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	1107	LC/MS Polar	1002	1672	157.03671	97-59-6	204	199	C02350	HMDB00462	"897,611"	"736,509"	"1,068,590"	"1,073,295"	"838,191"	"896,676"	"994,128"	"924,037"	"1,121,261"	"873,708"	"820,273"	"693,216"	"727,262"	"745,490"	"662,822"	"896,468"	"707,988"	"947,158"	"660,178"	"611,072"
470	alpha-glutamylalanine	Peptide	Dipeptide	41369	LC/MS Pos Early	100003631	2159	219.09755	21064-18-6	100098	90454		HMDB03764	"10,419,773"	"8,161,418"	"8,738,580"	"9,381,079"	"8,870,730"	"11,159,858"	"6,154,721"	"9,342,144"	"7,300,074"	"7,937,804"	"4,508,270"	"4,701,764"	"5,495,369"	"5,951,077"	"8,932,630"	"7,723,403"	"7,999,965"	"8,737,689"	"10,745,525"	"8,676,246"
471	alpha-glutamylaspartate	Peptide	Dipeptide	40683	LC/MS Pos Early	100003635	1956	263.08738	3918-84-1	302427	267281			"2,155,282"	"1,637,836"	"1,872,132"	"1,976,320"	"1,805,134"	"1,089,441"	"1,437,542"	"1,820,337"	"1,680,477"	"1,652,591"	"1,396,002"	"1,391,480"	"1,403,155"	"1,384,672"	"1,228,974"	"1,708,168"	"1,527,255"	"1,643,317"	"1,642,744"	"1,354,529"
472	alpha-glutamylglutamate	Peptide	Dipeptide	22166	LC/MS Pos Early	100000964	2055	277.10303	3929-61-1	439500	388598	C01425	HMDB28818	"5,494,247"	"4,030,359"	"4,748,990"	"5,180,867"	"4,962,121"	"4,630,730"	"4,159,681"	"4,976,450"	"4,176,589"	"5,215,598"	"3,118,442"	"3,093,739"	"3,323,934"	"3,246,591"	"4,169,152"	"4,121,319"	"4,496,940"	"4,512,908"	"5,627,442"	"5,327,313"
570	alpha-glutamylglycine	Peptide	Dipeptide	41530	LC/MS Pos Early	100003630	1971	205.0819	13716-89-7	302428	267282			"1,716,791"	"1,099,522"	"1,254,521"	"1,263,429"	"1,658,561"	"1,154,581"	"1,241,871"	"1,597,760"	"1,239,602"	"1,387,195"	"787,240"	"1,041,065"	"1,018,782"	"1,335,971"	"1,197,873"	"1,392,545"	"1,682,571"	"1,465,487"	"1,763,831"	"1,673,280"
473	alpha-glutamyllysine	Peptide	Dipeptide	40441	LC/MS Pos Early	100003463	2975	276.1554	5891-53-2	7015704	5378736		HMDB04207	"11,623,752"	"8,125,696"	"11,314,822"	"11,350,185"	"11,843,977"	"12,227,115"	"6,354,244"	"12,600,468"	"10,858,681"	"10,877,039"	"4,400,532"	"5,643,351"	"7,415,217"	"8,227,411"	"9,834,547"	"12,762,606"	"10,811,277"	"13,010,834"	"14,033,835"	"10,429,806"
811	alpha-glutamylproline*	Peptide	Dipeptide	57731	LC/MS Pos Early	100009291	2466	245.1132			14974566			"8,186,743"	"5,371,855"	"7,995,901"	"7,025,341"	"6,627,500"	"7,925,026"	"5,351,213"	"6,647,214"	"5,368,596"	"6,458,393"	"3,379,574"	"3,496,292"	"4,266,536"	"4,202,404"	"6,035,378"	"6,383,254"	"5,458,653"	"6,286,101"	"7,849,140"	"7,031,224"
474	alpha-glutamylserine	Peptide	Dipeptide	40655	LC/MS Pos Early	100003632	1885	235.09247	5875-38-7	428748	379275			"488,757"	"442,235"	"317,319"	"491,671"	"516,694"	"515,653"	"240,948"	"455,251"	"408,076"	"117,051"	"226,644"	"276,706"	"286,841"	"379,585"	"443,185"	"285,280"	"416,270"	"560,972"	"806,043"	"382,569"
477	alpha-glutamyltyrosine	Peptide	Dipeptide	40033	LC/MS Pos Early	100003250	2613	311.12377	3422-39-7	351830	312390			"525,049"	"357,918"	"469,198"	"733,730"	"678,823"	"862,313"	"354,677"	"461,984"	"359,523"		"154,155"	"357,999"	"594,298"	"513,586"	"676,720"	"453,630"	"549,474"	"598,712"	"757,288"	"353,777"
478	alpha-glutamylvaline	Peptide	Dipeptide	40488	LC/MS Pos Early	100003633	2715	247.12885	01/06/5879	433630	383483			"575,766"	"379,095"	"741,350"	"463,046"	"400,224"	"317,393"	"341,788"	"660,094"	"496,676"	"672,034"	"232,310"	"191,004"	"334,893"	"310,769"	"251,448"	"435,086"	"377,642"	"315,346"		"634,842"
1074	alpha-ketoglutarate	Energy	TCA Cycle	528	LC/MS Polar	93	2700	145.01425	305-72-6;328-50-7;22202-68-2	51	50	C00026	HMDB00208	"16,502,340"	"8,552,761"	"12,429,831"	"17,997,172"	"6,521,152"	"4,831,344"	"5,494,719"	"10,677,705"	"14,560,842"	"11,363,301"	"11,323,678"	"12,833,226"	"9,582,782"	"8,412,678"	"7,100,785"	"10,784,665"	"9,623,551"	"10,619,573"	"9,097,920"	"10,578,953"
3423	alpha-tocopherol	Cofactors and Vitamins	Tocopherol Metabolism	1561	LC/MS Pos Late	1105	2522	430.37818	59-02-9;10191-41-0	14985	14265	C02477	HMDB01893	"57,877,476"	"42,631,204"	"44,360,936"	"53,974,616"	"50,649,288"	"36,633,080"	"41,753,188"	"54,173,920"	"36,181,300"	"34,702,852"	"32,177,760"	"37,644,116"	"46,472,828"	"49,108,504"	"38,633,148"	"46,453,828"	"48,867,268"	"56,299,624"	"48,397,960"	"44,802,584"
215	anthranilate	Amino Acid	Tryptophan Metabolism	57746	LC/MS Pos Early	1258	2606	120.0444	118-92-3	227	222	C00108	HMDB01123	"975,583"	"233,650"	"434,733"	"688,118"	"477,492"			"394,200"	"556,824"	"310,537"	"155,362"	"378,630"	"382,404"	"593,205"		"349,959"	"200,424"	"406,499"	"556,967"	
935	arabitol/xylitol	Carbohydrate	Pentose Metabolism	48885	LC/MS Polar	100006430	1932.4	151.0612		6912		C01904		"452,962"	"348,128"	"575,685"	"538,481"	"535,104"	"671,157"	"646,719"	"476,118"	"700,454"	"637,950"	"580,349"	"461,526"	"488,100"	"526,789"	"486,003"	"584,176"	"773,314"	"696,494"	"657,815"	"808,688"
937	arabonate/xylonate	Carbohydrate	Pentose Metabolism	48255	LC/MS Polar	100006115	2700	165.04046						"1,463,947"	"3,055,275"		"1,658,601"	"1,464,563"	"3,010,521"	"1,446,960"	"1,829,839"	"4,339,892"	"4,430,456"	"1,354,438"	"1,145,197"		"1,817,141"	"3,761,167"	"2,559,943"	"3,211,249"	"1,946,512"	"2,092,551"	"3,798,982"
1145	arachidate (20:0)	Lipid	Long Chain Fatty Acid	1118	LC/MS Neg	893	6240	311.29555	506-30-9	10467	10035	C06425	HMDB02212	"16,549,061"	"4,936,368"	"7,105,222"	"7,379,728"	"16,688,004"	"7,083,086"	"8,788,055"	"23,527,054"	"7,421,320"	"7,601,637"	"7,564,570"	"18,099,232"	"9,677,196"	"18,332,500"	"13,933,608"	"8,015,494"	"11,479,394"	"8,186,769"	"15,289,968"	"6,966,315"
1177	arachidonate (20:4n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	1110	LC/MS Neg	229	5535	303.23295	506-32-1	444899	392692	C00219	HMDB01043	"344,353,536"	"72,256,904"	"128,740,240"	"102,989,512"	"251,698,768"	"108,637,160"	"147,837,808"	"303,398,912"	"73,670,344"	"57,557,504"	"78,333,232"	"168,936,000"	"104,766,512"	"224,366,896"	"241,688,784"	"45,365,264"	"129,446,176"	"65,517,148"	"235,020,704"	"68,347,264"
1375	arachidonoylcarnitine (C20:4)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57518	LC/MS Pos Late	100015837	1353	448.34215						"3,815,354"	"517,822"	"2,299,358"	"4,968,427"	"2,377,903"	"420,542"	"1,199,190"	"3,406,657"	"1,602,154"	"1,146,822"	"2,228,072"	"3,215,168"	"3,232,038"	"2,353,384"	"1,200,240"	"4,181,140"	"3,646,142"	"3,816,663"	"2,672,352"	"1,507,872"
1374	arachidoylcarnitine (C20)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57513	LC/MS Pos Late	100015833	1512	456.40474			28639199		HMDB06460		"85,117"	"123,759"			"71,032"				"330,039"	"87,601"		"46,893"		"123,713"	"83,549"	"151,901"	"228,080"	"248,265"	"743,710"
346	arginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1638	LC/MS Pos Early	231	2825	175.11896	1119-34-2	232	227	C00062	HMDB00517	"2,392,764,416"	"2,112,866,560"	"2,318,111,488"	"2,282,308,096"	"2,104,519,424"	"2,152,777,472"	"1,675,498,624"	"2,136,951,168"	"2,035,495,680"	"2,070,841,472"	"1,509,469,696"	"1,676,533,504"	"1,681,027,968"	"1,845,554,432"	"1,905,344,640"	"2,208,556,032"	"1,962,428,160"	"2,189,583,360"	"2,329,023,232"	"2,061,718,784"
347	argininosuccinate	Amino Acid	Urea cycle; Arginine and Proline Metabolism	15497	LC/MS Pos Early	232	2745	291.12992	156637-58-0	828	805	C03406	HMDB00052	"29,454,972"	"15,146,107"	"22,846,200"	"25,575,380"	"25,639,380"	"12,850,226"	"17,769,278"	"24,128,580"	"30,103,526"	"25,484,788"	"15,638,210"	"20,608,966"	"17,421,224"	"18,881,990"	"13,295,504"	"25,529,888"	"17,717,696"	"24,277,256"	"28,293,132"	"18,841,618"
480	arginylalanine	Peptide	Dipeptide	41382	LC/MS Pos Early	100003575	3076	246.15607	40968-45-4	4198036	3408346			"442,440"	"272,104"	"480,197"	"492,450"	"537,186"	"333,667"	"422,046"	"439,747"	"582,925"	"378,336"	"643,299"	"731,825"	"824,246"	"725,344"	"413,784"	"749,598"	"337,758"	"578,851"	"687,818"	"188,331"
479	arginylaspartate	Peptide	Dipeptide	41430	LC/MS Pos Early	100003583	2998	290.1459	15706-88-4	9817433	7993183			"757,983"		"809,273"	"785,870"	"1,032,137"	"781,310"	"764,090"	"963,218"	"842,255"	"923,706"	"515,919"	"620,858"	"763,024"	"837,622"	"926,178"	"1,421,328"	"1,012,742"	"1,043,574"	"1,184,373"	"813,752"
482	arginylglutamate	Peptide	Dipeptide	41457	LC/MS Pos Early	100003584	3019	304.16155	15706-89-5	333443	295466			"5,908,790"	"4,242,385"	"6,071,114"	"5,834,216"	"6,524,574"	"7,505,645"	"3,319,322"	"6,929,571"	"5,673,708"	"5,667,366"	"2,474,237"	"3,050,836"	"3,835,499"	"4,354,654"	"5,723,002"	"7,426,758"	"5,199,903"	"6,234,761"	"6,573,700"	"4,666,423"
483	arginylglutamine	Peptide	Dipeptide	41448	LC/MS Pos Early	100003585	2985	303.17753	2483-17-2	9857557	8033257			"2,354,109"	"1,557,824"	"2,307,947"	"2,204,716"	"2,729,475"	"1,963,541"	"1,468,549"	"2,357,966"	"2,319,164"	"2,150,175"	"1,514,713"	"1,880,456"	"2,171,977"	"1,925,627"	"1,709,856"	"3,022,956"	"2,125,582"	"2,442,929"	"2,680,839"	"1,500,420"
485	arginylisoleucine	Peptide	Dipeptide	40070	LC/MS Pos Early	100003153	3333	288.20302	62632-70-6	433625	383478			"72,908"		"59,070"		"81,684"	"59,802"	"92,173"	"60,949"						"77,566"					"77,628"	
486	arginylleucine	Peptide	Dipeptide	39995	LC/MS Pos Early	100003154	3362	288.20302	1188-24-5	333445	295468			"338,166"	"232,197"	"355,779"		"354,405"	"205,551"	"120,894"	"192,978"					"132,269"	"151,718"		"329,239"		"149,712"	"175,937"	
812	arginyllysine/lysylarginine	Peptide	Dipeptide	53264	LC/MS Pos Early	100009415	3300	303.21392						"367,756"	"336,241"	"448,264"	"394,117"	"480,086"	"338,257"	"242,607"	"321,682"	"288,912"	"263,685"	"185,441"	"254,150"	"248,303"	"218,120"	"254,100"	"489,882"	"244,671"	"312,047"	"355,870"	"228,326"
489	arginylphenylalanine	Peptide	Dipeptide	41485	LC/MS Pos Early	100003580	3352	322.18737	2047-13-4	4441256	3640706			"174,656"	"203,346"	"225,584"	"148,933"	"159,347"	"125,615"	"127,152"	"99,903"	"124,933"		"104,136"		"92,632"	"134,014"		"214,315"				
490	arginylproline	Peptide	Dipeptide	41394	LC/MS Pos Early	100003579	3100	272.17172	2418-69-1	332964	295008			"2,354,720"	"1,611,823"	"2,237,939"	"2,110,788"	"2,158,909"	"2,083,226"	"1,290,665"	"2,071,306"	"1,701,434"	"1,765,066"	"983,494"	"1,286,622"	"1,412,803"	"1,273,317"	"1,364,826"	"2,268,145"	"1,388,278"	"1,701,481"	"1,956,473"	"1,491,559"
493	arginyltyrosine	Peptide	Dipeptide	41376	LC/MS Pos Late	100003581	638	338.18228	74863-12-0		10815348			"73,860"		"215,723"	"220,410"	"184,711"	"180,232"	"84,348"	"218,074"	"237,133"	"172,026"	"269,998"	"160,999"	"180,447"	"180,133"	"149,704"	"267,654"	"227,861"	"261,228"	"238,811"	"131,795"
494	arginylvaline	Peptide	Dipeptide	41395	LC/MS Pos Early	100003577	3220	274.18737	2896-20-0	335257	297096			"635,288"	"411,254"	"462,485"	"548,150"	"624,617"	"309,953"	"207,924"	"556,024"	"355,909"	"357,680"	"282,566"	"276,646"	"380,554"	"458,249"	"283,999"	"652,892"	"412,905"	"593,380"	"488,113"	"232,897"
38	asparagine	Amino Acid	Alanine and Aspartate Metabolism	512	LC/MS Pos Early	917	1225	133.06077	70-47-3	6267	6031	C00152	HMDB00168	"629,446,464"	"492,506,560"	"664,283,648"	"645,725,376"	"537,058,880"	"503,167,008"	"458,794,240"	"544,622,720"	"536,669,568"	"584,047,680"	"387,482,304"	"389,257,504"	"442,258,208"	"462,267,264"	"447,081,024"	"574,412,608"	"461,498,752"	"520,906,880"	"534,376,000"	"482,151,712"
495	asparaginylalanine	Peptide	Dipeptide	54731	LC/MS Pos Early	100009293	2067	204.09789			16568254		HMDB28724	"9,891,903"	"7,146,320"	"9,474,809"	"9,065,042"	"8,087,349"	"9,184,244"	"5,067,929"	"7,683,407"	"6,678,938"	"7,314,806"	"4,261,811"	"5,010,008"	"6,122,011"	"6,183,144"	"7,907,778"	"9,147,261"	"7,152,514"	"8,224,257"	"9,053,208"	"7,306,885"
502	asparaginylglutamate	Peptide	Dipeptide	43022	LC/MS Pos Early	100003570	1981	262.10337	20917-58-2		16568259			"3,737,601"	"2,920,962"	"3,497,070"	"3,494,766"	"3,252,782"	"3,115,533"	"2,217,879"	"2,841,067"	"2,293,694"	"2,420,216"	"1,671,801"	"1,976,861"	"2,046,682"	"2,074,927"	"2,771,915"	"2,993,491"	"3,005,855"	"3,166,431"	"3,951,467"	"3,836,406"
496	asparaginylisoleucine	Peptide	Dipeptide	42976	LC/MS Pos Early	100003155	2955	246.14484			15949180		HMDB28734	"745,929"	"762,388"	"794,562"	"837,717"	"626,770"	"720,671"	"490,297"	"673,067"	"1,218,094"	"1,408,346"	"1,001,305"	"977,004"	"673,288"	"735,432"	"799,203"	"790,188"	"650,913"	"780,399"	"862,340"	"714,599"
498	asparaginylleucine	Peptide	Dipeptide	42980	LC/MS Pos Early	100003156	3009	246.14484			16568263		HMDB28735	"841,231"	"554,643"	"659,580"	"717,042"	"548,649"	"552,674"	"321,357"	"583,098"	"527,417"	"549,539"	"356,306"	"471,795"	"432,578"	"518,635"	"464,489"	"580,413"	"487,028"	"722,785"	"854,917"	"451,179"
497	asparaginyllysine	Peptide	Dipeptide	54763	LC/MS Pos Early	100009294	2972	261.15574			15494626			"12,299,580"	"8,652,405"	"11,935,671"	"11,561,570"	"12,500,818"	"14,725,534"	"6,371,570"	"14,671,843"	"11,068,209"	"11,897,950"	"4,298,413"	"5,285,645"	"6,470,486"	"6,636,357"	"10,005,795"	"13,492,251"	"9,943,313"	"11,942,400"	"12,037,859"	"11,682,202"
499	asparaginylmethionine	Peptide	Dipeptide	57759	LC/MS Pos Early	100009295	2695	264.10126			16568264			"1,448,484"	"880,785"	"1,136,394"	"1,486,285"	"1,370,378"	"1,218,156"	"707,812"	"1,312,128"	"1,046,020"	"832,629"	"534,057"	"640,707"	"915,999"	"903,514"	"1,179,344"	"1,472,165"	"948,531"	"1,234,427"	"1,261,564"	"785,122"
500	asparaginyltryptophan	Peptide	Dipeptide	54781	LC/MS Neg	100009296	2206	317.12553			16568268			"89,006"	"77,146"	"81,568"	"58,834"	"49,995"	"46,818"		"67,981"	"39,199"	"18,515"					"49,968"	"36,022"	"58,698"	"29,074"	"35,084"	"22,966"
501	asparaginylvaline	Peptide	Dipeptide	42028	LC/MS Pos Early	100003569	2680	232.12919	145314-87-0	7019993	16568270		HMDB28744	"1,029,312"	"844,839"	"907,027"	"1,059,842"	"939,187"	"1,080,157"	"607,067"	"1,067,773"	"834,419"	"968,316"	"513,835"	"592,463"	"732,568"	"684,093"	"1,103,999"	"1,018,473"	"1,017,384"	"1,077,363"	"1,082,523"	"882,954"
34	aspartate	Amino Acid	Alanine and Aspartate Metabolism	443	LC/MS Pos Early	234	1165	134.04479	56-84-8	5960	5745	C00049	HMDB00191	"1,191,407,104"	"993,273,344"	"1,341,289,600"	"1,291,127,552"	"1,203,714,688"	"1,187,242,240"	"1,381,305,344"	"1,180,043,648"	"1,485,377,536"	"1,298,996,992"	"716,326,464"	"772,502,784"	"1,194,126,976"	"1,298,090,624"	"1,140,930,944"	"1,291,384,704"	"1,126,445,824"	"1,168,278,272"	"1,223,635,072"	"925,462,016"
505	aspartylarginine	Peptide	Dipeptide	54774	LC/MS Pos Early	100009297	2960	290.1459			16568271			"15,190,559"	"10,640,789"	"13,197,881"	"14,296,527"	"12,803,402"	"11,364,115"	"8,476,251"	"12,638,492"	"11,750,825"	"11,865,879"	"6,216,142"	"6,903,893"	"9,490,972"	"9,780,627"	"10,051,063"	"12,810,122"	"10,805,447"	"12,683,997"	"13,020,405"	"8,618,576"
506	aspartylaspartate	Peptide	Dipeptide	40671	LC/MS Pos Early	100003627	1815	249.07173	58471-53-7	332965	295009			"2,261,824"	"1,710,975"	"2,625,561"	"2,409,330"	"2,362,979"	"1,997,973"	"2,606,619"	"2,466,121"	"2,692,682"	"3,080,078"	"2,273,550"	"2,133,645"	"2,404,202"	"2,407,887"	"1,939,722"	"2,465,408"	"2,083,995"	"1,982,084"	"2,044,665"	"1,856,836"
515	aspartylglutamine	Peptide	Dipeptide	41388	LC/MS Pos Early	100003628	1793	262.10337	13433-13-1		11201333			"4,091,130"	"2,706,269"	"3,163,547"	"3,757,706"	"2,978,450"	"1,943,845"	"2,010,073"	"2,913,034"	"2,575,451"	"2,574,996"	"1,561,645"	"1,809,229"	"2,399,702"	"2,231,684"	"1,734,091"	"3,103,639"	"2,478,295"	"2,883,219"	"2,719,392"	"1,767,512"
507	aspartylglycine	Peptide	Dipeptide	41519	LC/MS Pos Early	100003623	1828	191.06625	3790-51-0	302429;5247119	267283			"1,589,270"	"876,010"	"1,153,751"	"1,494,747"	"1,099,750"	"671,598"	"1,078,346"	"1,084,989"	"1,094,387"	"1,143,162"	"873,000"	"922,507"	"1,053,706"	"1,018,886"	"657,797"	"1,139,845"	"975,928"	"1,144,088"	"1,165,590"	"791,461"
509	aspartylisoleucine*	Peptide	Dipeptide	57402	LC/MS Pos Early	100003157	2946	247.12885			13816584			"1,595,755"	"1,034,843"	"1,410,582"	"1,598,198"	"928,147"	"700,214"	"693,798"	"920,428"	"836,964"	"942,720"	"644,035"	"660,616"	"778,849"	"920,502"	"753,723"	"917,048"	"867,529"	"903,782"	"1,001,705"	"597,420"
508	aspartylleucine	Peptide	Dipeptide	40068	LC/MS Pos Early	100003158	3005	247.12885	3062-14-4	332962	295006		HMDB28757	"4,789,083"	"3,093,066"	"3,650,112"	"4,152,090"	"3,182,393"	"2,413,288"	"1,897,902"	"3,055,004"	"2,628,983"	"2,207,909"	"1,391,105"	"1,654,681"	"2,184,394"	"2,507,138"	"1,927,848"	"3,256,384"	"2,686,609"	"3,061,615"	"3,331,698"	"1,755,317"
510	aspartyllysine	Peptide	Dipeptide	40682	LC/MS Pos Early	100003629	2934	262.13975	5891-51-0		16568276		HMDB28758	"6,480,261"	"4,658,239"	"6,040,767"	"6,410,547"	"5,321,958"	"4,085,056"	"3,843,408"	"4,669,250"	"4,979,896"	"3,940,216"	"2,804,454"	"3,254,087"	"4,223,446"	"4,635,975"	"3,253,245"	"4,669,358"	"4,215,082"	"4,878,259"	"5,072,026"	"3,272,053"
511	aspartylmethionine	Peptide	Dipeptide	54766	LC/MS Pos Early	100009298	2695	265.08527			15507683			"1,029,347"	"754,687"	"864,692"	"924,189"	"698,590"	"554,536"	"493,667"	"666,462"	"715,267"	"549,729"	"363,459"	"339,858"	"579,073"	"632,091"	"583,437"	"713,194"	"620,821"	"798,102"	"687,533"	"331,876"
512	aspartylphenylalanine	Peptide	Dipeptide	22175	LC/MS Pos Early	100000803	3040	281.1132	13433-09-5	93078	84028		HMDB00706	"941,133"	"732,847"	"675,522"	"981,850"	"628,906"	"481,508"	"243,019"	"598,792"	"303,363"	"253,935"	"139,603"	"111,973"	"290,741"	"312,672"	"339,123"	"648,229"	"228,890"	"456,285"	"379,634"	"298,561"
514	aspartylvaline	Peptide	Dipeptide	41373	LC/MS Pos Early	100003625	2684	233.1132	13433-04-0	4991131	4171248		HMDB28766	"2,510,328"	"1,737,297"	"1,946,341"	"2,504,329"	"1,800,702"	"1,195,797"	"1,249,309"	"1,680,124"	"1,846,586"	"1,597,637"	"985,859"	"1,136,884"	"1,426,622"	"1,595,131"	"1,189,346"	"1,964,698"	"1,760,363"	"1,903,162"	"1,806,991"	"985,219"
1268	azelate (nonanedioate)	Lipid	"Fatty Acid, Dicarboxylate"	18362	LC/MS Polar	2029	2520	187.09758	123-99-9	2266	2179	C08261	HMDB00784	"458,301"		"777,963"	"527,188"	"518,320"	"381,287"	"449,480"	"350,597"	"500,854"	"500,597"		"365,247"		"280,414"	"300,703"	"495,279"	"482,623"	"332,751"	"632,501"	"508,161"
2284	behenoyl dihydrosphingomyelin (d18:0/22:0)*	Lipid	Sphingolipid Metabolism	57331	LC/MS Pos Late	100009026	3150	789.68441			24846880		HMDB12091	"2,953,098"	"1,427,332"	"3,820,724"	"5,030,426"	"4,834,727"	"2,035,290"	"3,439,332"	"5,132,417"	"4,805,385"	"4,902,282"	"3,971,928"	"4,358,994"	"6,126,147"	"5,654,358"	"2,133,331"	"6,508,292"	"5,365,408"	"5,955,939"	"4,829,665"	"1,857,921"
2287	behenoyl sphingomyelin (d18:1/22:0)*	Lipid	Sphingolipid Metabolism	48492	LC/MS Pos Late	100006294	3083	787.66876			24846873		HMDB12103	"46,314,904"	"22,816,160"	"37,725,928"	"60,943,140"	"55,220,744"	"24,717,956"	"37,081,308"	"64,106,220"	"42,316,388"	"45,090,236"	"41,311,792"	"53,129,644"	"63,199,712"	"60,667,680"	"27,180,512"	"60,004,780"	"46,678,992"	"64,000,376"	"55,404,848"	"26,023,926"
3505	benzoate	Xenobiotics	Benzoate Metabolism	15778	LC/MS Neg	100000008	1750	121.0295	65-85-0	243	238	C00180	HMDB01870	"1,784,645"	"3,972,167"	"1,546,409"	"1,876,902"	"1,613,129"	"1,601,353"	"1,967,746"	"1,910,346"	"952,560"	"2,031,922"	"1,843,184"	"1,391,733"	"1,563,505"	"1,768,450"	"2,020,853"	"1,376,496"	"1,217,780"	"1,704,110"	"1,431,622"	"1,387,320"
3336	beta-alanine	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	55	LC/MS Pos Early	244	1905	90.05496	56-41-7;107-95-9	239	234	C00099	HMDB00056	"6,587,127"	"4,980,713"	"6,870,537"	"6,560,683"	"5,769,577"	"5,686,028"	"6,886,136"	"6,318,127"	"8,175,402"	"7,678,498"	"4,378,526"	"4,858,174"	"5,365,464"	"6,205,193"	"4,240,917"	"6,735,428"	"5,275,194"	"5,629,129"	"6,208,976"	"4,662,337"
51	beta-citrylglutamate	Amino Acid	Glutamate Metabolism	54923	LC/MS Neg	100003271	530	320.06232	73590-26-8	72715786	19992713	C20775		"112,723"	"60,729"	"69,214"	"132,793"	"143,653"	"74,935"	"94,266"	"174,518"	"250,632"	"100,950"	"99,460"	"120,694"	"221,625"	"218,253"	"142,567"	"130,391"	"189,897"	"195,092"	"164,635"	"75,200"
3746	beta-guanidinopropanoate	Xenobiotics	Food Component/Plant	35101	LC/MS Pos Early	100001411	2145	132.07676	353-09-3	67701	61020	C03065	HMDB13222	"4,409,215"	"5,372,404"	"5,807,005"	"4,582,704"	"3,786,013"	"8,815,548"	"7,251,406"	"4,220,127"	"9,291,587"	"6,275,324"	"2,387,864"	"2,178,484"	"4,149,098"	"4,303,862"	"6,805,877"	"8,610,876"	"3,558,428"	"3,976,728"	"4,502,764"	"8,456,056"
262	beta-hydroxyisovalerate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	12129	LC/MS Polar	1442	1149.8	117.05572	625-08-1	69362	62571		HMDB00754	"607,214"	"528,032"	"450,855"	"600,358"	"519,281"	"531,981"	"411,401"	"298,929"	"478,976"	"445,350"	"425,236"	"445,034"	"204,572"	"336,313"	"379,967"	"389,788"	"356,739"	"349,387"	"383,773"	"364,572"
6	betaine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	3141	LC/MS Pos Early	799	1064	118.08626	107-43-7	247	"24,219,951,173"	C00719	HMDB00043	"664,920,448"	"555,376,384"	"923,414,784"	"755,045,184"	"732,509,248"	"877,594,432"	"1,006,619,200"	"704,474,752"	"806,894,592"	"909,068,928"	"658,429,056"	"527,814,592"	"833,929,984"	"808,901,952"	"961,910,016"	"877,198,848"	"916,679,360"	"841,400,512"	"790,052,672"	"966,033,600"
7	betaine aldehyde	Amino Acid	"Glycine, Serine and Threonine Metabolism"	15499	LC/MS Pos Early	1219	1915	120.10191	7758-31-8	249	244	C00576	HMDB01252	"850,022"	"2,047,888"	"1,507,405"	"1,156,297"	"1,303,273"	"3,314,560"	"1,639,583"	"1,596,391"	"1,901,854"	"2,555,915"	"2,014,435"	"1,665,135"	"1,359,412"	"1,376,779"	"2,989,799"	"1,667,717"	"1,409,801"	"1,463,020"	"1,590,684"	"3,325,927"
3460	"bilirubin (Z,Z)"	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	43807	LC/MS Pos Late	1090	1840	585.27076	635-65-4	5280352	4444055	C00486	HMDB00054	"125,715"		"227,983"	"346,160"	"471,666"		"338,545"	"492,434"	"452,741"	"279,298"	"143,221"	"270,147"	"538,201"	"518,402"	"123,235"	"487,035"	"435,716"	"609,087"	"426,003"	
3463	biliverdin	Cofactors and Vitamins	Hemoglobin and Porphyrin Metabolism	2137	LC/MS Pos Late	250	1016	583.25512	55482-27-4;55482-27-4	5353439	10628548	C00500	HMDB01008	"47,594"			"79,195"	"98,313"			"109,645"	"104,830"			"44,403"	"107,541"	"115,234"		"130,175"	"136,484"	"141,740"	"113,903"	
3439	biotin	Cofactors and Vitamins	Biotin Metabolism	568	LC/MS Pos Early	251	2253	245.09545	58-85-5	171548	149962	C00120	HMDB00030	"4,210,901"	"3,160,311"	"4,630,810"	"4,158,827"	"3,971,752"	"4,099,198"	"6,154,758"	"3,792,102"	"4,282,970"	"4,653,952"	"5,067,333"	"4,667,127"	"4,886,968"	"4,311,937"	"3,882,603"	"4,654,899"	"3,465,892"	"3,925,383"	"3,730,981"	"3,304,266"
1325	butyrylcarnitine (C4)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	32412	LC/MS Pos Early	100001054	2860	232.15434	25576-40-3	439829	184820	C02862	HMDB02013	"5,735,893"	"3,434,613"	"8,128,359"	"7,536,599"	"4,231,027"	"3,688,720"	"4,354,106"	"4,735,792"	"6,892,139"	"9,434,709"	"5,755,155"	"5,773,917"	"5,476,699"	"5,144,336"	"5,418,972"	"7,947,408"	"4,845,897"	"6,501,559"	"5,244,784"	"4,826,757"
204	C-glycosyltryptophan	Amino Acid	Tryptophan Metabolism	48782	LC/MS Pos Early	100006379	2700	367.14998	180509-18-6	10981970	9157171			"533,452"	"881,977"	"612,541"	"587,859"	"743,092"	"943,681"	"1,053,885"	"750,531"	"938,746"	"1,098,324"	"873,371"	"800,162"	"1,079,515"	"798,620"	"1,318,186"	"636,749"	"904,878"	"904,750"	"755,240"	"954,165"
53	carboxyethyl-GABA	Amino Acid	Glutamate Metabolism	40007	LC/MS Pos Early	100003260	2085	176.09174	02/03/4386	2572	2474		HMDB02201	"756,197"		"790,821"	"711,395"	"957,046"	"622,307"	"954,057"	"894,043"	"1,081,336"	"846,316"	"681,855"	"696,972"	"1,032,275"	"1,080,711"	"350,281"	"1,137,639"	"623,829"	"743,252"	"632,036"	"567,852"
1396	carnitine	Lipid	Carnitine Metabolism	15500	LC/MS Pos Early	100000007	1978	162.11247	461-05-2	10917	10455	C00318	HMDB00062	"32,998,564"	"36,835,448"	"55,453,676"	"34,964,676"	"54,146,440"	"82,214,920"	"79,323,752"	"43,705,860"	"34,865,304"	"44,016,836"	"36,211,984"	"27,376,952"	"36,530,288"	"39,149,144"	"52,544,720"	"37,708,140"	"49,360,320"	"37,346,000"	"45,256,632"	"43,577,192"
4026	carotene diol (1)	Xenobiotics	Food Component/Plant	57635	LC/MS Pos Late	100015966	1720	568.42759						"457,568"	"386,654"	"624,963"	"797,341"	"675,169"	"596,303"	"723,496"	"862,581"	"425,633"	"619,095"	"545,813"	"511,025"	"800,240"	"992,318"	"815,944"	"940,973"	"1,072,327"	"1,216,178"	"1,119,542"	"713,425"
2374	"ceramide (d16:1/24:1, d18:1/22:1)*"	Lipid	Ceramides	57437	LC/MS Pos Late	100015727	3850	620.59763						"3,233,357"	"1,921,506"	"3,200,527"	"4,295,631"	"3,265,044"	"2,030,058"	"3,154,641"	"3,791,386"	"3,516,267"	"3,760,560"	"3,285,889"	"3,590,226"	"4,554,863"	"3,877,341"	"2,075,931"	"4,393,052"	"4,638,056"	"5,241,701"	"3,941,092"	"1,859,429"
2375	"ceramide (d18:1/14:0, d16:1/16:0)*"	Lipid	Ceramides	57432	LC/MS Pos Late	100015735	2477	510.48808						"849,383"	"816,259"	"1,181,103"	"1,085,526"	"1,085,881"	"972,887"	"966,170"	"1,033,787"	"925,017"	"775,707"	"878,902"	"826,941"	"1,065,648"	"1,187,619"	"1,173,154"	"1,045,686"	"1,103,197"	"1,197,183"	"1,143,845"	"1,256,746"
2376	"ceramide (d18:1/17:0, d17:1/18:0)*"	Lipid	Ceramides	57434	LC/MS Pos Late	100015737	3055	552.53505						"563,385"	"388,705"	"868,745"	"977,020"	"610,038"	"616,615"	"698,748"	"786,652"	"582,284"	"835,090"	"563,916"	"602,192"	"762,786"	"844,841"	"637,750"	"922,448"	"929,027"	"1,029,850"	"885,922"	"553,173"
2377	"ceramide (d18:1/20:0, d16:1/22:0, d20:1/18:0)*"	Lipid	Ceramides	57440	LC/MS Pos Late	100015755	3920	594.58199						"2,336,892"	"1,516,321"	"2,452,415"	"2,863,082"	"2,574,559"	"1,895,482"	"2,060,557"	"2,797,226"	"2,394,748"	"2,383,689"	"2,229,090"	"2,511,399"	"2,815,257"	"2,842,492"	"1,882,715"	"2,864,877"	"2,988,559"	"3,149,622"	"2,598,028"	"1,810,086"
2418	cholesterol	Lipid	Sterol	63	LC/MS Pos Late	266	2707	369.35159	57-88-5	11025495	4937803	C00187	HMDB00067	"246,541,056"	"171,167,536"	"202,168,304"	"286,505,440"	"275,759,424"	"157,719,648"	"215,096,624"	"256,476,048"	"289,836,192"	"199,495,456"	"191,732,000"	"191,124,144"	"216,127,312"	"228,336,512"	"164,827,472"	"224,640,112"	"227,309,008"	"262,995,232"	"204,776,720"	"145,677,248"
1618	choline	Lipid	Phospholipid Metabolism	15506	LC/MS Pos Early	1256	1961	104.10699	67-48-1	305	149278	C00114	HMDB00097	"1,062,745,728"	"872,118,848"	"1,014,105,536"	"1,045,266,432"	"1,084,540,032"	"931,663,552"	"1,123,316,608"	"1,051,417,984"	"1,192,844,672"	"1,088,257,152"	"1,010,002,496"	"1,049,691,904"	"1,053,302,208"	"1,097,241,472"	"885,159,040"	"1,085,745,664"	"875,595,840"	"1,012,095,680"	"1,022,203,072"	"829,050,240"
1619	choline phosphate	Lipid	Phospholipid Metabolism	34396	LC/MS Pos Early	267	700	184.07332	72556-74-2	1014	119298	C00588	HMDB01565	"2,105,676,416"	"1,377,546,880"	"1,643,196,928"	"2,121,554,688"	"2,060,651,648"	"1,491,086,592"	"1,752,531,072"	"2,075,128,704"	"2,340,249,600"	"1,881,472,000"	"1,566,251,776"	"1,911,070,208"	"2,076,942,464"	"2,212,722,688"	"1,523,145,344"	"2,120,858,624"	"1,547,806,208"	"2,077,267,328"	"1,991,668,864"	"1,357,124,352"
1355	cis-4-decenoylcarnitine (C10:1)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	38178	LC/MS Pos Late	100002259	1057	314.23259	98930-66-6		28639171			"146,115"		"144,884"	"194,872"	"142,488"			"216,610"	"190,461"	"132,082"	"265,342"	"274,769"	"172,682"	"226,854"	"218,824"	"208,774"	"192,781"	"128,307"	"76,456"	"93,240"
1068	citrate	Energy	TCA Cycle	1564	LC/MS Neg	1124	582	191.01973	77-92-9	311	305	C00158	HMDB00094	"13,034,728"	"28,181,500"	"20,793,064"	"14,970,312"	"21,539,016"	"28,972,160"	"29,010,640"	"19,409,908"	"31,403,206"	"29,386,026"	"24,759,056"	"13,652,740"	"16,603,959"	"17,036,844"	"25,617,808"	"14,540,452"	"10,733,648"	"8,305,565"	"6,930,840"	"15,631,843"
354	citrulline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	2132	LC/MS Pos Early	391	1520	176.10297	372-75-8	9750	810	C00327	HMDB00904	"3,403,198"	"3,014,675"	"3,543,027"	"4,009,401"	"5,070,369"	"3,834,192"	"4,780,688"	"3,690,979"	"4,652,948"	"3,888,278"	"5,578,307"	"7,813,522"	"6,495,869"	"6,412,016"	"4,076,650"	"3,895,050"	"3,669,142"	"7,428,996"	"7,688,101"	"2,249,929"
3409	coenzyme A	Cofactors and Vitamins	Pantothenate and CoA Metabolism	46322	LC/MS Neg	270	1448	382.55033	85-61-0;18439-24-2	317	311	C00010	HMDB01423	"277,337"	"550,955"	"509,545"	"304,712"	"897,899"	"1,260,256"	"1,354,458"	"636,241"	"752,617"	"677,321"	"513,666"	"345,372"	"649,606"	"613,814"	"610,692"	"532,766"	"393,061"	"450,278"	"413,742"	"232,249"
380	creatine	Amino Acid	Creatine Metabolism	27718	LC/MS Pos Early	1221	1947	132.07676	57-00-1	586	566	C00300	HMDB00064	"1,442,371,328"	"1,190,311,296"	"1,537,736,576"	"1,504,352,640"	"1,428,191,744"	"1,361,821,184"	"1,421,083,904"	"1,475,611,392"	"1,718,661,888"	"1,754,170,880"	"1,209,630,592"	"1,207,873,664"	"1,581,995,392"	"1,667,123,840"	"1,414,728,576"	"1,802,542,336"	"1,446,811,136"	"1,530,859,008"	"1,623,667,328"	"1,423,397,376"
382	creatine phosphate	Amino Acid	Creatine Metabolism	33951	LC/MS Neg	100000112	603	210.02853	922-32-7	587	567	C02305	HMDB01511	"3,175,185"	"3,295,103"	"3,917,554"	"3,957,762"	"4,768,754"	"5,022,860"	"5,522,083"	"4,900,681"	"5,920,060"	"4,695,036"	"2,833,395"	"2,431,730"	"6,773,673"	"6,199,864"	"6,154,971"	"6,782,293"	"5,057,912"	"4,292,972"	"3,827,630"	"2,553,084"
381	creatinine	Amino Acid	Creatine Metabolism	513	LC/MS Pos Early	275	2055	114.06619	60-27-5	588	568	C00791	HMDB00562	"44,464,192"	"33,576,212"	"47,414,896"	"52,621,692"	"50,946,436"	"60,600,924"	"68,681,192"	"51,576,692"	"64,333,252"	"63,616,976"	"38,478,752"	"51,926,840"	"66,347,824"	"65,580,860"	"60,136,148"	"89,480,624"	"46,533,832"	"58,532,424"	"58,282,684"	"36,981,728"
536	cyclo(his-pro)	Peptide	Dipeptide	52353	LC/MS Pos Early	100002745	2354	235.11896	53109-32-3	449094	395717			"8,144,102"	"6,429,592"	"8,959,989"	"8,492,426"	"8,640,164"	"7,639,047"	"10,192,250"	"8,830,731"	"8,758,070"	"8,756,206"	"9,014,929"	"8,036,549"	"8,619,758"	"8,101,315"	"6,258,162"	"8,413,180"	"5,487,256"	"6,597,321"	"6,677,904"	"4,126,348"
325	cystathionine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	15705	LC/MS Pos Early	310	2270	223.07471	535-34-2	439258	811	C02291	HMDB00099	"48,123,208"	"28,965,626"	"54,500,068"	"45,460,496"	"45,676,852"	"36,670,836"	"60,525,508"	"45,440,168"	"58,938,440"	"61,836,520"	"51,671,904"	"45,638,204"	"52,057,528"	"53,589,436"	"39,136,040"	"51,983,140"	"44,936,924"	"43,558,136"	"46,012,116"	"30,371,412"
327	cysteine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	1868	LC/MS Pos Early	800	1488	122.02703	52-90-4;56-89-3	5862	5653	C00097	HMDB00574	"212,911,248"	"158,867,344"	"226,894,688"	"203,136,416"	"250,544,160"	"198,025,056"	"188,208,256"	"201,161,968"	"212,044,192"	"209,462,000"	"138,798,768"	"146,545,280"	"179,637,520"	"186,102,176"	"168,076,112"	"219,573,968"	"171,337,824"	"213,251,552"	"234,778,064"	"152,595,312"
337	cysteine sulfinic acid	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	37443	LC/MS Pos Early	100002113	597	154.01686	207121-48-0	109	107	C00606	HMDB00996	"14,992,214"	"24,601,060"	"24,706,676"	"14,455,843"	"11,534,555"	"23,171,098"	"23,403,120"	"11,861,111"	"12,056,279"	"18,341,360"	"14,203,734"	"9,484,245"	"11,521,268"	"10,816,397"	"23,049,208"	"10,877,987"	"17,335,098"	"11,612,545"	"13,152,893"	"26,768,108"
411	cysteine-glutathione disulfide	Amino Acid	Glutathione Metabolism	35159	LC/MS Pos Early	100001437	2465	427.09519	13081-14-6	4247235	3455404		HMDB00656	"2,777,640"	"2,026,267"	"2,578,698"	"2,500,421"	"3,152,711"	"2,240,747"	"2,298,923"	"2,350,685"	"2,394,136"	"2,239,155"	"1,462,303"	"1,480,176"	"2,127,312"	"1,807,378"	"1,804,249"	"2,512,636"	"1,598,673"	"2,018,908"	"2,584,659"	"1,612,610"
414	cysteinylglycine	Amino Acid	Glutathione Metabolism	35637	LC/MS Pos Early	278	2132	179.0485	19246-18-5	439498	58762	C01419	HMDB00078	"16,881,644"	"11,285,581"	"18,804,298"	"16,350,104"	"20,277,176"	"18,137,448"	"24,602,232"	"18,557,536"	"24,174,536"	"26,294,048"	"21,261,182"	"18,520,276"	"23,823,824"	"24,757,302"	"19,443,860"	"22,586,158"	"20,263,246"	"19,225,118"	"23,473,616"	"13,235,478"
3345	cytidine	Nucleotide	"Pyrimidine Metabolism, Cytidine containing"	514	LC/MS Pos Early	827	2124	244.0928	65-46-3	6175	5940	C00475	HMDB00089	"219,848"	"277,152"	"485,190"	"324,469"	"480,284"	"413,134"	"781,408"	"484,309"	"765,154"	"670,477"	"503,201"	"385,060"	"454,798"	"494,150"	"354,472"	"551,956"	"316,147"	"172,921"	"243,008"	"84,007"
1620	cytidine 5'-diphosphocholine	Lipid	Phospholipid Metabolism	34418	LC/MS Polar	1220	4200	533.10553	33818-15-4	13804	21531769	C00307	HMDB01413	"278,638"	"153,760"	"255,457"	"310,670"	"347,899"	"225,442"	"255,816"	"349,083"	"427,578"	"446,000"	"441,882"	"387,901"	"422,041"	"317,655"	"201,268"	"410,879"	"357,202"	"473,455"	"557,695"	"439,479"
3342	cytidine 5'-monophosphate (5'-CMP)	Nucleotide	"Pyrimidine Metabolism, Cytidine containing"	2372	LC/MS Pos Early	282	835	324.05914	63-37-6	6131	5414497	C00055	HMDB00095	"6,954,724"	"16,292,930"	"19,602,924"	"10,755,627"	"19,882,412"	"20,632,230"	"21,337,624"	"17,040,806"	"21,688,252"	"20,258,332"	"14,373,046"	"9,702,789"	"14,444,121"	"14,776,355"	"17,415,796"	"15,332,457"	"10,230,988"	"9,528,139"	"7,406,347"	"6,714,171"
1028	cytidine 5'-monophospho-N-acetylneuraminic acid	Carbohydrate	Nucleotide Sugar	36831	LC/MS Polar	1223	3900	613.13999	3063-71-6	448209		C00128	HMDB01176	"230,898"		"271,753"	"91,681"	"280,698"	"214,854"	"307,423"	"118,629"	"393,486"	"342,896"	"315,031"	"262,804"	"386,460"	"293,540"	"220,182"	"275,967"	"212,557"	"224,439"	"339,232"	"169,913"
3341	cytidine diphosphate	Nucleotide	"Pyrimidine Metabolism, Cytidine containing"	2841	LC/MS Neg	280	580	402.01091	34393-59-4	6132	5902	C00112	HMDB01546	"350,202"	"239,689"	"311,888"	"451,381"	"254,685"	"233,951"	"136,936"	"392,159"	"483,929"	"429,884"	"371,426"	"403,990"	"503,682"	"498,237"	"422,736"	"409,470"	"323,962"	"277,862"	"250,881"	"261,057"
3340	cytidine triphosphate	Nucleotide	"Pyrimidine Metabolism, Cytidine containing"	2844	LC/MS Neg	281	575	481.97724	36051-68-0	6176	573	C00063	HMDB00082	"389,170"	"30,433"	"43,212"	"210,441"				"183,966"	"193,977"	"108,304"	"176,833"	"318,911"	"240,475"	"223,576"	"182,106"	"172,280"	"215,903"	"233,283"	"293,266"	"292,136"
1625	cytidine-5'-diphosphoethanolamine	Lipid	Phospholipid Metabolism	34410	LC/MS Polar	100001407	4210	445.0531	72842-05-8	123727	287	C00570	HMDB01564	"790,809"	"316,768"	"566,230"	"873,010"	"741,464"	"409,464"	"501,103"	"802,363"	"1,049,779"	"640,709"	"696,113"	"864,729"	"881,684"	"805,726"	"363,838"	"906,857"	"553,270"	"813,989"	"725,578"	"411,314"
3784	daidzein	Xenobiotics	Food Component/Plant	32453	LC/MS Neg	100001219	3566	253.05063	486-66-8	5281708	4445025	C10208	HMDB03312	"833,862"	"540,273"	"514,145"	"981,161"	"924,445"	"436,122"	"816,586"	"1,093,078"	"1,353,307"	"374,460"	"377,203"	"698,043"	"872,553"	"1,161,416"	"315,816"	"517,150"	"996,452"	"796,856"	"811,873"	"177,112"
3968	daidzein sulfate (2)	Xenobiotics	Food Component/Plant	48728	LC/MS Neg	100006363	3330	333.00756						"478,218"	"238,391"	"317,107"	"719,773"	"710,634"	"304,596"	"573,951"	"672,337"	"1,501,641"	"682,593"	"528,818"	"884,391"	"836,582"	"1,219,854"	"232,902"	"1,591,330"	"645,433"	"739,230"	"697,260"	"288,593"
1395	deoxycarnitine	Lipid	Carnitine Metabolism	36747	LC/MS Pos Early	100001662	2052	146.11756	6249-56-5	134	705	C01181	HMDB01161	"76,379,936"	"48,081,516"	"113,619,848"	"91,977,816"	"98,743,928"	"94,483,704"	"123,944,616"	"89,916,184"	"105,301,000"	"121,569,096"	"80,451,160"	"73,387,200"	"108,702,152"	"114,564,800"	"113,940,576"	"122,308,424"	"119,209,496"	"126,986,368"	"109,798,736"	"104,371,352"
2190	"diacylglycerol (12:0/18:1, 14:0/16:1, 16:0/14:1) [2]*"	Lipid	Diacylglycerol	55001	LC/MS Pos Late	100010959	2716	556.49356						"9,933,296"	"4,460,202"	"7,855,275"	"8,948,380"	"12,160,772"	"3,829,509"	"7,450,544"	"8,731,216"	"9,872,369"	"5,929,454"	"6,286,257"	"9,038,312"	"10,789,904"	"14,338,160"	"6,638,998"	"13,167,778"	"12,249,476"	"13,234,185"	"12,100,476"	"7,627,412"
2191	"diacylglycerol (14:0/18:1, 16:0/16:1) [1]*"	Lipid	Diacylglycerol	54953	LC/MS Pos Late	100010934	3057	584.52486						"832,215"	"551,978"	"789,067"	"1,065,193"	"1,112,075"	"467,961"	"1,164,481"	"1,043,163"	"895,345"	"860,801"	"705,469"	"719,772"	"1,321,661"	"1,550,067"	"516,426"	"1,379,424"	"1,377,152"	"1,373,471"	"1,116,078"	"546,834"
2192	"diacylglycerol (14:0/18:1, 16:0/16:1) [2]*"	Lipid	Diacylglycerol	54954	LC/MS Pos Late	100010935	3183	584.52486						"7,604,303"	"4,357,545"	"7,818,865"	"9,112,948"	"10,157,273"	"4,337,335"	"7,148,720"	"8,408,820"	"10,175,880"	"7,870,380"	"6,695,806"	"8,124,696"	"11,990,265"	"11,768,597"	"5,378,181"	"13,830,812"	"14,019,706"	"13,113,190"	"10,576,957"	"6,098,321"
1181	dihomo-linoleate (20:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	17805	LC/MS Neg	1231	5730	307.26425	2091-39-6	6439848	4944228	C16525	HMDB05060	"73,712,912"	"14,286,381"	"21,164,244"	"21,997,500"	"51,712,012"	"17,197,252"	"24,752,492"	"58,142,256"	"22,019,572"	"17,446,846"	"21,242,556"	"62,847,364"	"34,118,924"	"66,553,528"	"32,887,882"	"23,429,036"	"33,681,992"	"23,684,084"	"59,395,740"	"11,639,193"
1176	dihomo-linolenate (20:3n3 or n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	35718	LC/MS Neg	100001739	5596	305.2486	17046-59-2	5280581	4471954	C03242	HMDB02925	"81,402,424"	"17,077,216"	"28,638,556"	"25,643,696"	"56,230,768"	"21,523,368"	"29,224,412"	"75,309,032"	"18,222,292"	"15,175,236"	"20,620,880"	"54,961,628"	"29,343,598"	"58,616,544"	"46,065,276"	"20,077,400"	"32,582,338"	"20,606,440"	"56,968,008"	"16,708,947"
1378	dihomo-linolenoylcarnitine (20:3n3 or 6)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57521	LC/MS Pos Late	100015840	1392	450.35777						"299,238"	"99,597"	"173,811"	"386,164"	"223,726"		"71,072"	"222,490"	"180,307"	"134,254"	"199,303"	"246,791"	"274,738"	"176,707"	"172,862"	"387,108"	"285,944"	"348,822"	"212,815"	"110,227"
1379	dihomo-linoleoylcarnitine (C20:2)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57520	LC/MS Pos Late	100015839	1436	452.37343														"61,708"					"56,753"	"65,157"	"147,238"	"108,571"	"122,550"		"103,782"
3445	dihydrobiopterin	Cofactors and Vitamins	Tetrahydrobiopterin Metabolism	35129	LC/MS Pos Early	100001506	1930	240.10912	6779-87-9	1879	1808	C00268	HMDB00038	"183,152"	"113,334"		"187,464"	"78,270"	"152,424"	"217,190"	"74,697"	"104,949"	"141,376"	"76,268"			"108,585"	"147,280"		"101,685"	"87,674"	"82,832"	
3304	dihydroorotate	Nucleotide	"Pyrimidine Metabolism, Orotate containing"	601	LC/MS Pos Early	923	790	159.04004	155-54-4	648	628	C00337	HMDB03349	"611,463"	"622,750"	"966,036"	"851,265"	"719,615"	"591,481"	"807,439"	"983,836"	"935,700"	"833,205"		"432,753"	"487,497"	"727,152"	"597,817"	"886,596"	"587,090"	"768,540"		"223,930"
887	dihydroxyacetone phosphate (DHAP)	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	15522	LC/MS Pos Early	309	539	171.00531	102783-56-2	668	3833110	C00111	HMDB01473	"1,963,021"	"801,188"	"1,345,093"	"1,633,455"	"1,479,726"	"777,093"	"819,463"	"1,729,354"	"1,956,504"	"1,643,184"	"2,373,657"	"2,621,226"	"3,340,472"	"3,499,954"	"1,746,865"	"2,286,705"	"4,090,547"	"4,003,644"	"4,464,346"	"2,786,906"
360	dimethylarginine (SDMA + ADMA)	Amino Acid	Urea cycle; Arginine and Proline Metabolism	36808	LC/MS Pos Early	100001810	2850	203.15026	102783-24-4	123831	110375	C03626	HMDB01539	"555,263,168"	"382,162,304"	"507,918,624"	"569,323,840"	"475,769,856"	"397,440,160"	"416,753,504"	"462,346,816"	"387,277,376"	"360,918,528"	"230,074,896"	"275,458,368"	"278,217,472"	"308,334,560"	"323,752,320"	"408,695,584"	"314,617,696"	"380,284,288"	"374,517,728"	"278,424,128"
1180	docosadienoate (22:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32415	LC/MS Neg	100001182	6034	335.29555	7370-49-2	5282807	4445934	C16533	HMDB61714	"5,765,370"	"1,140,412"	"2,016,659"	"2,242,429"	"5,116,439"	"1,473,867"	"2,638,869"	"5,824,773"	"2,473,799"	"1,795,098"	"2,213,811"	"6,662,164"	"3,818,982"	"6,530,524"	"3,001,856"	"2,769,002"	"3,800,084"	"2,436,223"	"5,404,391"	"1,248,834"
1167	docosahexaenoate (DHA; 22:6n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	44675	LC/MS Neg	100000665	5525	327.23295	6217-54-5	445580	393183	C06429	HMDB02183	"83,673,336"	"11,694,392"	"28,965,520"	"22,892,044"	"60,471,184"	"26,109,672"	"30,394,804"	"67,853,888"	"18,659,222"	"15,961,231"	"19,168,276"	"49,751,164"	"28,623,700"	"65,078,120"	"55,045,228"	"19,238,620"	"35,443,880"	"20,546,240"	"62,907,492"	"19,249,474"
1385	docosahexaenoylcarnitine (C22:6)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57523	LC/MS Pos Late	100015845	1349	472.34215						"363,095"	"109,934"	"326,409"	"496,612"	"401,104"	"107,724"	"185,907"	"433,690"	"244,840"	"279,277"	"423,065"	"435,267"	"482,651"	"413,535"	"495,631"	"737,443"	"536,215"	"507,359"	"317,975"	"348,806"
1166	docosapentaenoate (n3 DPA; 22:5n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32504	LC/MS Neg	100001181	5571	329.2486	2234-74-4	6441454		C16513	HMDB06528	"82,023,744"	"12,380,727"	"19,906,096"	"21,473,622"	"57,814,160"	"19,046,412"	"24,360,582"	"65,727,232"	"20,540,992"	"14,682,805"	"17,011,700"	"52,311,160"	"29,540,986"	"64,034,060"	"44,737,328"	"21,597,032"	"34,345,868"	"24,113,300"	"66,094,140"	"14,559,466"
1179	docosapentaenoate (n6 DPA; 22:5n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	37478	LC/MS Neg	100001580	5624.5	329.2486	25182-74-5	6441454	4945614	C16513	HMDB01976	"6,101,748"	"1,138,823"	"2,538,752"	"1,993,444"	"5,171,302"	"1,888,006"	"2,724,203"	"6,328,622"	"1,513,985"	"1,620,415"	"1,654,996"	"4,548,126"	"2,709,077"	"5,323,303"	"4,009,110"	"1,850,294"	"3,128,591"	"2,467,133"	"6,087,559"	"1,688,181"
1384	docosapentaenoylcarnitine (C22:5n3)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57529	LC/MS Pos Late	100015851	1387	474.35777						"338,825"	"55,115"	"284,102"	"546,369"	"373,825"		"185,618"	"446,620"	"336,344"	"251,633"	"266,788"	"454,005"	"476,594"	"498,292"	"426,085"	"665,571"	"486,761"	"708,870"	"375,387"	"186,175"
1168	docosatrienoate (22:3n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	32417	LC/MS Neg	100001195	5823	333.2799	59708-86-0	5312556	4471981	C16534	HMDB02823	"2,045,882"		"386,212"	"800,245"	"1,257,695"		"411,364"	"1,983,581"	"646,498"			"1,737,584"	"821,968"	"1,417,317"	"944,017"	"292,780"	"823,914"	"533,980"	"1,650,572"	
1184	docosatrienoate (22:3n6)*	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	57467	LC/MS Neg	100015762	5850	333.27989						"2,275,288"		"434,279"	"494,617"	"1,570,915"		"452,135"	"2,209,501"	"385,825"			"1,934,472"	"659,714"	"1,518,933"	"867,339"	"419,442"	"469,036"	"474,987"	"1,421,811"	
2397	eicosanoylsphingosine (d20:1)*	Lipid	Ceramides	57597	LC/MS Pos Late	100015870	1443	328.321						"314,316"	"551,992"	"713,293"	"472,283"	"793,424"	"1,009,161"	"1,186,564"	"851,481"	"784,533"	"1,292,726"	"927,489"	"743,385"	"725,864"	"836,300"	"911,858"	"858,440"	"1,428,481"	"1,034,130"	"1,017,337"	"895,331"
1165	eicosapentaenoate (EPA; 20:5n3)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	18467	LC/MS Neg	2050	5450	301.2173	10-2005-9;10417-94-4	446284	393682	C06428	HMDB01999	"69,033,696"	"15,639,846"	"26,859,894"	"16,588,577"	"47,923,832"	"33,085,538"	"33,130,826"	"43,030,496"	"13,992,858"	"12,636,744"	"17,416,320"	"31,978,060"	"24,002,984"	"43,819,756"	"59,494,872"	"10,112,726"	"23,470,400"	"17,489,130"	"49,494,572"	"13,863,763"
1148	eicosenoate (20:1)	Lipid	Long Chain Fatty Acid	33587	LC/MS Neg	100001335	5950	309.2799		5282768	4445895	C16526	HMDB02231	"132,568,608"	"22,391,252"	"38,910,488"	"45,135,912"	"117,616,952"	"24,215,452"	"51,009,296"	"145,735,424"	"52,920,144"	"36,225,184"	"50,488,016"	"152,831,648"	"85,893,744"	"146,841,056"	"52,943,072"	"57,926,084"	"74,450,472"	"55,981,276"	"126,583,280"	"20,981,628"
1380	eicosenoylcarnitine (C20:1)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57519	LC/MS Pos Late	100015838	1484	454.38909						"205,897"	"190,458"	"271,087"	"257,322"	"142,405"	"95,810"		"189,646"	"301,184"	"1,416,255"	"390,608"	"207,438"	"189,088"	"246,520"	"211,131"	"442,743"	"453,011"	"666,736"	"546,603"	"1,120,593"
3798	ergothioneine	Xenobiotics	Food Component/Plant	37459	LC/MS Pos Early	100002154	850	230.09578	58511-63-0	3032311	2297320	C05570	HMDB03045	"643,902"	"813,921"	"1,239,327"	"793,691"	"738,009"	"1,107,841"	"1,256,012"	"711,005"	"850,304"	"1,055,203"	"744,765"	"383,924"	"762,234"	"854,432"	"1,011,517"	"702,826"	"756,642"	"556,249"	"609,940"	"981,033"
1153	erucate (22:1n9)	Lipid	Long Chain Fatty Acid	1552	LC/MS Neg	1087	6355.6	337.3112	112-86-7	5281116	7924	C08316	HMDB02068	"10,598,263"	"2,138,219"	"3,718,476"	"4,320,981"	"9,771,721"	"2,339,779"	"4,800,570"	"11,351,333"	"4,558,833"	"3,711,802"	"4,565,572"	"12,428,015"	"6,867,474"	"12,277,357"	"5,230,033"	"5,348,315"	"7,131,251"	"4,781,654"	"10,097,802"	"2,515,073"
3800	erythritol	Xenobiotics	Food Component/Plant	20699	LC/MS Polar	100000846	1491	167.05611	149-32-6	222285	13835932	C00503	HMDB02994	"111,822"	"91,709"	"148,213"	"130,555"	"124,003"	"138,985"	"151,380"	"132,520"	"129,963"	"91,031"	"153,866"	"98,148"		"106,551"	"56,562"	"83,552"	"116,574"	"94,148"	"123,158"	"103,895"
1061	erythronate*	Carbohydrate	Aminosugar Metabolism	42420	LC/MS Polar	100001320	2186	135.02989	88759-55-1	2781043	2061231		HMDB00613	"9,080,868"	"6,277,633"	"9,635,055"	"12,402,448"	"8,903,309"	"8,290,075"	"8,634,285"	"7,726,906"	"14,033,491"	"12,050,224"	"5,361,430"	"5,358,943"	"9,199,900"	"8,489,436"	"6,662,126"	"10,985,388"	"8,156,600"	"10,494,279"	"9,733,327"	"7,900,749"
4470	ethyl glucuronide	Xenobiotics	Chemical	39603	LC/MS Neg	100002849	793	221.06667	17685-04-0	152226	134174		HMDB10325	"347,448"	"668,759"	"442,303"	"326,278"	"266,003"	"723,221"	"511,978"	"284,063"	"941,803"	"869,911"	"980,101"	"482,539"	"847,708"	"1,033,304"	"1,107,254"	"1,234,152"	"1,221,432"	"585,862"	"650,090"	"1,232,438"
291	ethylmalonate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	15765	LC/MS Polar	2054	2785	131.03498	601-75-2	11756	11263		HMDB00622	"1,208,546"	"824,944"	"1,368,537"	"1,084,859"	"1,423,002"	"769,677"	"1,217,505"	"1,014,010"	"1,734,574"	"1,348,978"	"1,020,847"	"976,307"	"1,007,825"	"996,178"	"709,444"	"1,252,083"	"970,064"	"951,955"	"1,043,995"	"886,686"
3402	flavin adenine dinucleotide (FAD)	Cofactors and Vitamins	Riboflavin Metabolism	2134	LC/MS Neg	327	2425	784.14985	146-14-5;84366-81-4	643975	559059	C00016	HMDB01248	"803,184"	"459,665"	"752,565"	"624,296"	"887,456"	"577,108"	"880,237"	"785,527"	"756,041"	"689,839"	"709,240"	"698,555"	"961,598"	"794,072"	"675,000"	"846,758"	"776,396"	"942,706"	"972,421"	"524,795"
986	fructose	Carbohydrate	"Fructose, Mannose and Galactose Metabolism"	577	LC/MS Polar	878	2065	179.05611	57-48-7	5984	5764	C00095	HMDB00660	"3,156,313"	"3,524,104"	"5,048,558"	"4,561,798"	"3,613,333"	"3,664,817"	"5,487,949"	"3,305,938"	"3,978,980"	"3,953,305"	"3,943,388"	"3,270,228"	"2,240,704"	"2,293,710"	"2,561,215"	"2,947,434"	"2,504,434"	"2,465,361"	"2,757,065"	"2,376,019"
885	"fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates"	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	46896	LC/MS Neg	100002180	551	338.98897				C00354		"7,669,018"	"2,930,200"	"3,242,629"	"6,118,264"	"4,169,097"	"2,186,056"	"1,823,507"	"6,235,451"	"7,312,845"	"3,652,149"	"6,294,275"	"10,313,261"	"14,768,708"	"16,856,108"	"6,988,442"	"7,145,799"	"20,181,444"	"15,952,779"	"20,635,042"	"8,619,141"
1078	fumarate	Energy	TCA Cycle	1643	LC/MS Polar	330	3084	115.00368	100-17-8	444972	10197150	C00122	HMDB00134	"26,034,448"	"14,744,829"	"22,680,084"	"27,036,550"	"25,014,160"	"12,170,286"	"19,720,086"	"23,373,642"	"31,264,244"	"27,949,668"	"21,699,422"	"26,286,470"	"21,421,794"	"22,097,276"	"14,584,019"	"26,068,192"	"21,176,020"	"26,203,382"	"24,280,532"	"20,393,664"
1003	galactose 1-phosphate	Carbohydrate	"Fructose, Mannose and Galactose Metabolism"	15706	LC/MS Polar	100000300	4552	259.02244	19046-60-7	123912		C00446	HMDB00645	"621,366"	"372,046"	"702,759"	"712,740"	"579,809"	"478,448"	"402,506"	"435,187"	"707,207"	"494,694"	"446,301"	"354,390"	"425,648"	"526,527"	"364,193"	"577,479"	"562,435"	"596,931"	"669,903"	"495,696"
52	gamma-aminobutyrate (GABA)	Amino Acid	Glutamate Metabolism	1416	LC/MS Pos Early	141	2048	104.07061	56-12-2	119	116	C00334	HMDB00112	"31,294,732"	"19,115,008"	"27,465,568"	"26,467,566"	"22,223,856"	"20,992,052"	"23,351,612"	"20,260,714"	"26,133,170"	"27,396,098"	"18,279,384"	"19,265,140"	"22,790,276"	"21,090,344"	"19,591,468"	"24,308,044"	"19,421,218"	"22,062,332"	"24,956,256"	"21,523,374"
437	gamma-glutamyl-epsilon-lysine	Peptide	Gamma-glutamyl Amino Acid	33934	LC/MS Pos Early	100001262	2717	276.1554	17105-15-6	7015685	5378717		HMDB03869	"7,525,625"	"7,565,884"	"10,661,777"	"8,713,989"	"9,316,674"	"8,989,559"	"10,628,442"	"9,441,973"	"9,985,111"	"9,300,752"	"9,074,980"	"8,827,057"	"10,244,930"	"11,047,309"	"9,956,782"	"9,409,883"	"9,405,502"	"9,709,153"	"9,272,002"	"7,729,810"
429	gamma-glutamylcysteine	Peptide	Gamma-glutamyl Amino Acid	1778	LC/MS Pos Early	1036	2118	251.06963	636-58-8	842	819	C00669	HMDB01049	"15,390,440"	"23,528,880"	"25,543,904"	"17,870,704"	"16,664,529"	"18,994,680"	"27,108,170"	"17,385,728"	"21,667,822"	"27,216,530"	"21,273,420"	"13,292,973"	"20,708,876"	"20,698,722"	"20,017,398"	"18,868,552"	"18,435,736"	"15,573,479"	"19,129,632"	"17,981,488"
430	gamma-glutamylglutamate	Peptide	Gamma-glutamyl Amino Acid	36738	LC/MS Pos Early	331	1775	277.10303	1116-22-9	92865	83831	C05282	HMDB11737	"12,119,781"	"8,565,636"	"14,682,013"	"11,952,166"	"13,025,907"	"8,777,691"	"15,088,411"	"14,089,588"	"16,917,354"	"17,295,004"	"14,414,326"	"11,370,675"	"16,693,927"	"14,258,137"	"10,291,408"	"18,860,912"	"14,618,941"	"12,753,485"	"13,331,607"	"15,607,297"
431	gamma-glutamylglutamine	Peptide	Gamma-glutamyl Amino Acid	2730	LC/MS Pos Early	1140	1430	276.11902	10148-81-9	150914	133013	C05283	HMDB11738	"9,832,720"	"12,405,174"	"13,965,462"	"10,215,683"	"14,709,379"	"17,838,252"	"21,540,496"	"14,634,019"	"14,436,741"	"14,649,281"	"13,128,210"	"10,998,702"	"14,765,854"	"14,085,633"	"19,137,656"	"17,115,360"	"20,273,568"	"18,643,176"	"17,244,504"	"21,974,372"
434	gamma-glutamylisoleucine*	Peptide	Gamma-glutamyl Amino Acid	34456	LC/MS Pos Early	100001485	2940	261.1445		14253342	21403145		HMDB11170	"420,187"	"197,850"	"401,862"	"347,346"	"573,740"	"297,333"	"663,326"	"502,214"	"563,605"	"487,156"	"472,753"	"562,840"	"822,053"	"757,741"	"377,829"	"686,133"	"605,223"	"747,026"	"794,791"	"479,482"
435	gamma-glutamylleucine	Peptide	Gamma-glutamyl Amino Acid	18369	LC/MS Pos Early	1268	2991	261.1445	2566-39-4	151023	133115		HMDB11171	"641,926"	"455,884"	"672,962"	"609,408"	"976,677"	"653,910"	"922,134"	"942,066"	"939,266"	"904,614"	"794,398"	"704,816"	"961,810"	"1,038,154"	"706,243"	"956,918"	"952,231"	"1,290,261"	"1,380,211"	"925,480"
438	gamma-glutamylmethionine	Peptide	Gamma-glutamyl Amino Acid	44872	LC/MS Pos Early	100001313	2640	279.10092	17663-87-5	7009567	5373147		HMDB29155	"246,097"	"219,211"	"192,546"	"260,373"	"333,030"	"337,968"		"218,348"	"124,164"	"246,270"	"161,032"	"346,401"	"145,774"	"221,175"	"256,924"	"240,594"	"380,758"	"634,167"	"797,665"	"496,316"
439	gamma-glutamylphenylalanine	Peptide	Gamma-glutamyl Amino Acid	33422	LC/MS Pos Early	100000491	2992	295.12885	7432-24-8	111299	99868		HMDB00594	"258,495"	"251,509"	"324,209"	"270,436"	"266,708"	"220,904"	"344,635"	"210,723"	"290,299"	"370,723"	"318,794"	"242,610"	"249,422"	"200,743"	"165,716"	"246,418"	"168,469"	"170,126"	"307,310"	"214,342"
440	gamma-glutamylthreonine	Peptide	Gamma-glutamyl Amino Acid	33364	LC/MS Pos Early	100001314	1750	249.10812	5652-48-2	76078708	21403107		HMDB29159	"3,570,344"	"3,241,862"	"4,752,867"	"3,829,098"	"6,414,472"	"4,285,424"	"6,547,652"	"5,490,531"	"6,335,031"	"7,187,307"	"4,080,175"	"3,599,473"	"7,806,397"	"7,243,720"	"5,472,737"	"8,916,853"	"6,724,141"	"7,793,819"	"8,461,568"	"6,282,443"
442	gamma-glutamyltyrosine	Peptide	Gamma-glutamyl Amino Acid	2734	LC/MS Pos Early	1102	2518	311.12377	7432-23-7	94340	85142		HMDB11741	"173,206"	"198,231"	"361,598"		"333,801"		"230,537"	"218,224"	"147,694"	"322,253"	"358,592"	"280,021"	"135,439"			"213,789"				"178,186"
443	gamma-glutamylvaline	Peptide	Gamma-glutamyl Amino Acid	43829	LC/MS Pos Early	100001126	2700	247.12885	2746-34-1	7015683			HMDB11172	"883,112"	"446,762"	"754,236"	"810,436"	"1,591,619"	"805,243"	"1,456,806"	"1,268,283"	"1,244,879"	"1,135,986"	"1,020,401"	"1,128,104"	"1,771,714"	"1,829,859"	"918,770"	"2,162,302"	"1,594,873"	"1,815,907"	"2,607,771"	"892,939"
3724	gluconate	Xenobiotics	Food Component/Plant	587	LC/MS Polar	338	2922	195.05102	527-07-1	10690	10240	C00257	HMDB00625	"50,521,248"	"17,730,092"	"40,973,336"	"46,628,768"	"38,218,644"	"14,021,723"	"19,121,952"	"31,617,552"	"20,455,432"	"21,462,094"	"11,805,409"	"26,123,528"	"19,922,554"	"20,800,220"	"11,388,610"	"43,427,292"	"52,768,800"	"66,538,320"	"83,481,008"	"38,546,528"
878	glucose	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	48152	LC/MS Polar	572	2342	225.06159	50-99-7	79025	71358	C00031	HMDB00122	"334,115,520"	"320,963,584"	"462,823,712"	"444,364,448"	"433,328,032"	"352,763,584"	"515,499,680"	"437,388,672"	"473,601,600"	"447,418,464"	"487,210,144"	"447,159,968"	"429,060,224"	"373,704,544"	"289,735,008"	"436,699,616"	"414,675,680"	"417,857,664"	"396,822,400"	"275,228,224"
879	glucose 6-phosphate	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	31260	LC/MS Polar	291	4537	259.02244	103192-55-8	5958	19952394	C00668	HMDB01401	"4,101,139"	"5,927,688"	"12,955,345"	"7,477,972"	"11,343,270"	"15,152,682"	"26,548,472"	"7,605,136"	"14,514,980"	"14,432,871"	"9,242,050"	"3,958,509"	"7,361,949"	"7,786,245"	"7,612,680"	"5,872,921"	"5,911,681"	"5,866,123"	"3,881,206"	"4,945,333"
1038	glucuronate	Carbohydrate	Aminosugar Metabolism	15443	LC/MS Polar	100000257	3233.3	193.03537	207300-70-7	444791	58552	C00191	HMDB00127	"14,386,483"	"16,727,517"	"19,213,580"	"20,329,240"	"19,334,784"	"18,385,054"	"19,501,484"	"21,511,036"	"26,274,260"	"19,909,728"	"24,042,120"	"18,264,482"	"19,253,996"	"17,382,268"	"17,217,244"	"21,644,882"	"24,394,050"	"18,340,902"	"16,249,584"	"20,580,916"
40	glutamate	Amino Acid	Glutamate Metabolism	57	LC/MS Pos Early	561	1500	148.06044	56-86-0	611	591	C00025	HMDB00148	"4,413,896,192"	"3,717,046,528"	"4,730,390,016"	"4,669,833,728"	"4,111,211,776"	"3,824,440,832"	"4,335,834,624"	"4,079,432,960"	"5,169,892,352"	"4,906,376,704"	"3,161,439,488"	"3,143,515,904"	"4,429,345,792"	"4,678,053,888"	"3,760,493,056"	"4,728,205,824"	"4,057,974,528"	"4,420,810,752"	"4,625,134,592"	"3,646,145,024"
48	"glutamate, gamma-methyl ester"	Amino Acid	Glutamate Metabolism	33487	LC/MS Pos Early	100001103	2170	162.07609	1499-55-4;1499-55-4	68662	66546		HMDB61715	"16,484,506"	"5,988,078"	"13,434,495"	"15,892,753"	"26,455,408"	"11,441,517"	"19,363,090"	"23,632,942"	"27,856,652"	"18,483,298"	"16,792,468"	"19,141,024"	"30,311,732"	"30,398,698"	"13,709,934"	"24,441,682"	"23,559,968"	"27,754,764"	"24,774,434"	"9,762,738"
41	glutamine	Amino Acid	Glutamate Metabolism	53	LC/MS Pos Early	563	1291	147.07642	56-85-9	5961	5746	C00064	HMDB00641	"3,251,344,128"	"2,353,297,152"	"3,454,101,248"	"3,404,184,832"	"3,840,716,544"	"3,060,680,704"	"3,907,803,904"	"3,929,664,000"	"4,094,541,312"	"3,767,013,632"	"2,802,123,776"	"2,776,608,512"	"3,843,731,456"	"4,008,772,096"	"2,965,765,376"	"4,399,841,280"	"3,480,492,800"	"3,870,967,552"	"3,737,997,056"	"2,538,507,776"
562	glutaminylglutamate	Peptide	Dipeptide	43025	LC/MS Pos Early	100003572	1997	276.11902	88830-90-4		16568299			"3,957,546"	"3,383,269"	"3,741,548"	"3,893,285"	"4,316,860"	"4,369,188"	"3,259,692"	"4,168,122"	"3,672,592"	"3,769,098"	"1,626,990"	"2,532,548"	"2,945,114"	"3,183,962"	"3,755,796"	"4,093,999"	"3,472,033"	"3,625,012"	"4,234,907"	"3,296,234"
563	glutaminylglutamine	Peptide	Dipeptide	41398	LC/MS Pos Early	100003573	1880	275.135	54419-93-1		16044754		HMDB28795	"1,865,310"	"1,094,005"	"1,284,887"	"1,727,801"	"2,275,334"	"1,475,561"	"1,221,090"	"1,656,006"	"1,836,137"	"1,361,997"	"1,258,498"	"1,521,713"	"1,703,006"	"1,829,078"	"1,431,253"	"1,975,209"	"1,702,717"	"2,363,085"	"2,455,156"	"1,452,128"
569	glutaminylglycine	Peptide	Dipeptide	53238	LC/MS Pos Early	100003571	1884	204.09789	2650-65-9	336415	298160		HMDB28797	"4,128,723"	"2,845,665"	"2,668,425"	"3,873,113"	"4,904,304"	"3,045,083"	"2,345,979"	"4,156,393"	"3,676,076"	"2,697,108"	"2,307,657"	"2,941,844"	"3,359,088"	"3,943,653"	"3,629,981"	"4,175,212"	"4,021,462"	"5,735,829"	"6,262,463"	"3,268,313"
564	glutaminylisoleucine	Peptide	Dipeptide	42988	LC/MS Pos Early	100003159	2949	260.16049			16568302		HMDB28800	"248,687"	"178,436"	"255,412"	"279,376"	"190,218"	"207,825"	"155,770"	"227,424"	"763,352"	"1,069,636"	"744,135"	"489,557"	"340,826"	"281,651"	"112,053"	"299,157"	"162,819"	"227,384"	"299,732"	"162,367"
565	glutaminylleucine	Peptide	Dipeptide	42994	LC/MS Pos Early	100003160	3009	260.16049		18218208	16568303		HMDB29153	"355,974"	"169,934"	"343,820"	"501,937"	"385,947"	"245,261"	"146,621"	"383,075"	"317,258"	"239,064"	"199,754"	"212,928"	"339,709"	"349,573"	"200,246"	"532,534"	"279,206"	"407,821"	"459,418"	"87,941"
572	glutaminyllysine	Peptide	Dipeptide	54769	LC/MS Pos Early	100009301	2075	258.14484		16047672	13176079			"109,140"							"114,054"		"97,367"						"110,168"			"139,882"	
575	glutaminylproline	Peptide	Dipeptide	54757	LC/MS Pos Early	100009303	2301	244.12919			15688430		HMDB28805	"8,060,732"	"4,784,338"	"6,857,640"	"6,251,543"	"6,539,348"	"6,539,614"	"4,364,810"	"5,703,648"	"4,594,752"	"4,888,455"	"2,968,370"	"3,633,120"	"4,131,445"	"3,688,810"	"4,761,718"	"6,236,530"	"4,674,336"	"5,444,964"	"6,480,885"	"5,267,001"
567	glutaminylthreonine	Peptide	Dipeptide	54759	LC/MS Pos Early	100009305	2014	248.1241			16568308			"2,085,266"	"1,114,458"	"1,746,333"	"2,154,506"	"2,476,731"	"1,367,269"	"2,087,211"	"1,990,753"	"2,534,920"	"1,760,894"	"2,000,400"	"3,351,554"	"4,141,775"	"4,181,805"	"1,601,128"	"3,041,343"	"2,512,739"	"3,203,309"	"3,649,360"	"1,400,020"
574	glutaminyltyrosine	Peptide	Dipeptide	54779	LC/MS Pos Early	100009307	2625	310.13975	457662-02-1		16568310			"758,387"	"555,380"	"964,863"	"946,246"	"666,042"	"796,549"	"543,779"	"750,667"	"676,597"	"760,296"	"440,248"	"462,988"	"727,122"	"604,289"	"599,032"	"986,210"	"600,181"	"663,029"	"709,578"	"433,346"
1251	glutarate (pentanedioate)	Lipid	"Fatty Acid, Dicarboxylate"	396	LC/MS Polar	339	2900	131.03498	110-94-1	743	3618533	C00489	HMDB00661	"1,150,160"	"616,852"	"675,513"	"1,030,245"	"705,657"	"648,033"	"525,057"	"661,684"	"934,988"	"909,691"	"540,134"	"626,047"	"771,039"	"626,722"	"465,514"	"787,915"	"579,248"	"724,970"	"1,030,320"	"652,725"
409	"glutathione, oxidized (GSSG)"	Amino Acid	Glutathione Metabolism	27727	LC/MS Pos Early	448	2667	613.15925	103239-24-3	65359	58835	C00127	HMDB03337	"31,721,284"	"29,653,124"	"32,970,436"	"33,258,056"	"31,590,098"	"32,045,642"	"35,419,048"	"32,897,658"	"33,772,532"	"33,472,272"	"34,650,816"	"30,800,296"	"34,218,892"	"32,173,828"	"32,144,804"	"33,308,652"	"29,433,172"	"32,490,984"	"32,660,162"	"26,385,086"
408	"glutathione, reduced (GSH)"	Amino Acid	Glutathione Metabolism	2127	LC/MS Neg	496	790	306.07653	70-18-8	124886	111188	C00051	HMDB00125	"475,524,256"	"374,190,688"	"613,977,280"	"556,085,120"	"562,599,616"	"507,336,640"	"710,094,720"	"552,882,112"	"678,968,768"	"658,960,256"	"614,100,928"	"509,687,488"	"656,812,800"	"671,244,672"	"541,755,072"	"680,897,728"	"620,920,256"	"569,786,176"	"559,794,816"	"483,063,744"
898	glycerate	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	1572	LC/MS Polar	1052	2070.4	105.01933	600-19-1	752	732	C00258	HMDB00139	"10,613,354"	"4,327,831"	"5,236,913"	"8,088,305"	"5,134,143"	"2,446,691"	"3,801,926"	"3,875,367"	"3,739,590"	"3,253,391"	"6,357,529"	"8,298,406"	"5,667,679"	"5,342,998"	"3,613,086"	"5,631,079"	"11,840,450"	"10,240,778"	"11,651,959"	"7,806,746"
2155	glycerol	Lipid	Glycerolipid Metabolism	15122	LC/MS Neg	1254	758	91.04007	56-81-5	753	733	C00116	HMDB00131	"5,585,519"	"3,548,455"	"5,721,093"	"5,565,134"	"8,291,283"	"4,037,866"	"8,157,942"	"7,273,992"	"6,443,640"	"5,143,205"	"5,260,815"	"5,861,877"	"9,479,527"	"7,791,194"	"5,315,169"	"5,297,553"	"6,223,736"	"9,549,378"	"10,882,158"	"4,533,185"
2156	glycerol 3-phosphate	Lipid	Glycerolipid Metabolism	43847	LC/MS Pos Early	100000258	580	173.02095	29849-82-9	754	734	C00093	HMDB00126	"136,305,504"	"53,257,608"	"97,522,200"	"137,458,256"	"172,061,152"	"72,834,584"	"151,094,224"	"182,285,024"	"203,428,912"	"160,266,688"	"180,494,832"	"206,235,296"	"253,749,392"	"225,504,800"	"109,202,160"	"222,715,680"	"221,256,896"	"238,170,416"	"234,222,160"	"138,758,576"
1626	glycerophosphoethanolamine	Lipid	Phospholipid Metabolism	37455	LC/MS Polar	100001620	3075	214.04859	33049-08-0	123874	110410	C01233	HMDB00114	"88,623,904"	"44,318,884"	"77,369,016"	"115,086,152"	"114,222,232"	"47,982,520"	"64,944,764"	"118,511,632"	"152,006,208"	"90,879,976"	"78,067,576"	"100,601,064"	"140,669,280"	"129,980,784"	"46,793,980"	"143,800,464"	"110,155,296"	"149,537,920"	"135,173,632"	"56,539,304"
2161	glycerophosphoglycerol	Lipid	Glycerolipid Metabolism	48857	LC/MS Polar	100001619	2430	245.04317		439964	388990	C03274		"13,140,074"	"7,159,921"	"10,829,399"	"18,361,562"	"14,833,614"	"10,525,862"	"10,016,328"	"14,308,504"	"18,875,448"	"13,082,917"	"8,004,339"	"9,192,171"	"15,631,113"	"16,134,184"	"10,289,309"	"19,858,832"	"15,237,201"	"23,221,134"	"18,441,716"	"12,052,271"
1628	glycerophosphoinositol*	Lipid	Phospholipid Metabolism	52307	LC/MS Neg	100001621	630	333.05922	16824-65-0	167572				"4,118,228"	"2,802,574"	"4,677,830"	"4,121,756"	"5,866,655"	"3,788,988"	"5,818,286"	"5,302,745"	"6,146,184"	"5,320,502"	"4,957,658"	"5,202,545"	"6,014,083"	"5,642,252"	"4,125,570"	"6,591,067"	"5,352,686"	"5,526,100"	"5,280,708"	"3,755,296"
1622	glycerophosphorylcholine (GPC)	Lipid	Phospholipid Metabolism	15990	LC/MS Pos Early	100000269	672	258.1101	28319-77-9	71920	571409	C00670	HMDB00086	"1,505,949,568"	"1,129,288,704"	"1,306,704,384"	"1,610,795,264"	"1,723,803,776"	"1,055,871,552"	"1,123,483,648"	"1,718,911,488"	"1,802,533,120"	"1,443,253,888"	"1,138,118,912"	"1,577,003,648"	"1,726,371,712"	"1,843,477,376"	"1,048,432,320"	"1,960,318,208"	"1,379,479,168"	"1,897,851,008"	"1,752,258,944"	"1,189,133,696"
1627	glycerophosphoserine*	Lipid	Phospholipid Metabolism	57404	LC/MS Pos Early	100015666	577	260.05298		3081457	2339060			"4,610,414"	"3,413,294"	"6,231,007"	"5,347,349"	"10,370,090"	"4,571,626"	"9,614,633"	"9,857,297"	"10,807,297"	"7,544,596"	"7,861,445"	"7,666,417"	"12,389,996"	"11,288,225"	"6,111,635"	"12,786,284"	"9,545,688"	"11,312,868"	"10,649,163"	"6,029,668"
1	glycine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	58	LC/MS Pos Early	340	1375	76.03931	56-40-6	750	730	C00037	HMDB00123	"277,928,672"	"187,848,544"	"255,164,592"	"279,541,056"	"254,119,520"	"200,617,072"	"211,634,576"	"252,569,424"	"258,366,304"	"226,174,544"	"168,599,952"	"194,394,480"	"200,708,336"	"223,629,744"	"170,826,432"	"246,831,504"	"211,503,696"	"239,344,704"	"248,795,920"	"173,920,112"
2607	glycochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	32346	LC/MS Neg	1628	5236.1	448.30684	16564-43-5	12544		C05466	HMDB00637	"124,782"	"51,430"	"59,599"	"107,460"	"333,296"	"80,204"	"296,221"	"330,231"	"187,832"	"116,775"	"140,341"	"133,202"	"383,899"	"295,077"	"75,799"	"386,151"	"299,548"	"250,823"	"198,314"	"56,769"
2393	"glycosyl ceramide (d16:1/24:1, d18:1/22:1)*"	Lipid	Ceramides	57457	LC/MS Pos Late	100015730	3373	782.65045						"221,556"	"599,431"	"792,903"	"222,628"	"329,610"	"676,035"	"784,605"	"386,326"	"244,395"	"1,238,697"	"673,569"	"191,034"	"443,338"	"350,748"	"928,623"	"281,324"	"920,739"	"481,862"	"335,694"	"501,693"
2394	"glycosyl ceramide (d18:1/20:0, d16:1/22:0)*"	Lipid	Ceramides	57595	LC/MS Pos Late	100015882	3414	756.6348						"353,661"	"1,342,043"	"1,292,118"	"558,727"	"697,090"	"1,839,812"	"1,634,690"	"790,686"	"598,682"	"2,212,180"	"1,658,115"	"627,043"	"707,256"	"657,981"	"1,935,440"	"678,424"	"1,849,856"	"842,061"	"689,220"	"1,539,462"
2395	"glycosyl ceramide (d18:1/23:1, d17:1/24:1)*"	Lipid	Ceramides	57448	LC/MS Pos Late	100015751	3667	796.66609						"99,604"	"532,470"	"384,891"			"687,689"	"677,242"			"962,438"	"633,734"	"170,131"			"420,850"		"553,914"			"588,610"
2396	"glycosyl ceramide (d18:2/24:1, d18:1/24:2)*"	Lipid	Ceramides	57453	LC/MS Pos Late	100015745	3380	808.66609						"2,345,508"	"5,579,590"	"6,382,091"	"3,541,291"	"3,079,035"	"6,007,818"	"6,178,855"	"3,592,027"	"2,771,351"	"7,978,502"	"5,916,783"	"2,797,871"	"3,472,294"	"3,352,815"	"7,030,197"	"3,584,378"	"6,929,310"	"3,872,235"	"3,282,580"	"5,226,484"
2383	glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*	Lipid	Ceramides	57421	LC/MS Pos Late	100015625	3420	782.65045						"871,268"	"1,944,638"	"2,580,990"	"1,488,779"	"1,412,512"	"3,121,410"	"3,055,509"	"1,670,453"	"1,270,596"	"3,102,957"	"2,738,266"	"1,416,422"	"1,303,556"	"1,494,753"	"2,976,084"	"1,544,373"	"3,346,277"	"1,648,336"	"1,536,980"	"2,604,745"
2379	glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	53013	LC/MS Pos Late	100009272	2623	700.5722						"8,980,498"	"39,189,184"	"34,073,864"	"11,613,713"	"12,387,251"	"47,794,228"	"37,525,576"	"13,619,202"	"10,071,303"	"46,985,040"	"35,940,420"	"11,927,748"	"12,677,667"	"12,390,054"	"45,634,024"	"12,238,660"	"35,654,484"	"13,323,614"	"12,262,986"	"40,664,188"
2380	glycosyl-N-stearoyl-sphingosine (d18:1/18:0)	Lipid	Ceramides	52234	LC/MS Pos Late	100001882	3053	728.6035						"1,195,475"	"5,322,531"	"5,308,995"	"1,576,597"	"1,988,753"	"7,983,114"	"6,217,442"	"2,059,439"	"1,712,819"	"7,595,160"	"5,085,591"	"1,660,550"	"1,785,913"	"1,991,838"	"7,451,708"	"2,041,276"	"6,145,869"	"2,078,074"	"1,957,135"	"5,559,630"
577	glycylalanine	Peptide	Dipeptide	41463	LC/MS Pos Early	100003507	2143	147.07642	3695-73-6	98153	88624			"10,592,437"	"7,036,102"	"8,630,239"	"10,031,882"	"10,538,308"	"8,239,852"	"7,496,921"	"9,933,477"	"10,088,604"	"8,202,089"	"5,865,924"	"7,587,967"	"7,573,308"	"8,870,259"	"8,057,954"	"10,063,245"	"9,012,361"	"11,580,394"	"11,947,152"	"6,574,298"
576	glycylasparagine	Peptide	Dipeptide	42065	LC/MS Polar	100003512	2870	188.06768	1999-33-3	306141;4320045	270647			"2,592,577"	"2,351,299"	"2,426,479"	"5,004,410"	"2,170,981"	"1,352,597"	"894,271"	"3,097,355"	"2,814,615"	"1,691,148"	"1,324,349"	"1,939,180"	"1,482,137"	"1,376,734"	"1,140,827"	"3,001,685"	"2,079,717"	"3,260,914"	"2,000,374"	"2,181,482"
579	glycylaspartate	Peptide	Dipeptide	41366	LC/MS Pos Early	100003511	1873	191.06625	05/12/4685	273261	240419		HMDB28837	"122,339"	"186,928"	"130,181"	"127,138"	"177,578"	"237,142"	"170,728"	"103,950"	"117,540"	"100,136"			"97,061"	"111,686"	"187,255"		"159,747"	"252,418"	"343,895"	"155,748"
580	glycylcysteine	Peptide	Dipeptide	41516	LC/MS Pos Early	100003509	2222	179.04849	57281-78-4		11360432			"565,986"	"394,724"	"358,862"	"650,976"	"340,604"	"982,282"		"528,426"	"449,806"	"1,558,797"	"339,178"	"373,380"	"418,011"	"796,847"	"686,915"	"827,305"	"891,999"	"508,197"	"532,594"	"878,248"
584	glycylglycine	Peptide	Dipeptide	21029	LC/MS Pos Early	100000898	1881	133.06077	556-50-3	11163	10690	C02037	HMDB11733	"5,844,765"	"4,371,946"	"4,095,931"	"5,611,072"	"6,343,881"	"4,490,516"	"4,937,515"	"5,767,505"	"5,133,111"	"3,891,599"	"3,673,570"	"4,854,914"	"4,267,705"	"4,914,312"	"4,308,120"	"4,300,526"	"5,429,705"	"6,588,416"	"7,363,495"	"4,213,243"
586	glycylisoleucine	Peptide	Dipeptide	36659	LC/MS Pos Early	100001790	3002	189.12337	19461-38-2	88079	19972556		HMDB28844	"368,637"	"205,583"	"356,887"	"312,911"	"449,076"	"291,096"	"232,307"	"420,894"	"559,665"	"436,688"	"313,430"	"362,682"	"410,958"	"425,864"	"435,351"	"598,649"	"426,298"	"565,036"	"628,278"	"351,583"
587	glycylleucine	Peptide	Dipeptide	34398	LC/MS Pos Early	100001258	3059	189.12337	869-19-2	92843	83812	C02155	HMDB00759	"5,771,626"	"3,726,198"	"5,352,917"	"5,572,773"	"6,910,756"	"4,707,017"	"4,430,219"	"7,561,908"	"7,773,696"	"5,669,213"	"3,972,575"	"5,745,396"	"5,303,194"	"6,070,747"	"4,782,873"	"8,261,629"	"6,349,735"	"8,355,676"	"9,091,560"	"4,685,638"
588	glycyllysine	Peptide	Dipeptide	41529	LC/MS Polar	100003514	4160	202.11971	31461-63-9	306144	270650			"332,064"	"240,299"	"219,295"	"353,323"	"346,908"	"281,796"	"171,813"	"460,636"	"457,298"	"242,224"	"95,241"	"295,206"		"236,486"	"196,472"	"509,233"	"366,265"	"465,276"	"159,212"	"317,083"
589	glycylmethionine	Peptide	Dipeptide	42012	LC/MS Pos Early	100003510	2716	207.07979	554-94-9	96757	87361		HMDB28847	"1,127,992"	"510,493"	"956,994"	"963,337"	"1,095,310"	"747,755"	"774,635"	"1,004,930"	"1,031,141"	"913,279"	"698,264"	"862,038"	"1,030,006"	"1,074,284"	"754,979"	"1,174,298"	"861,013"	"1,116,742"	"1,201,513"	"734,959"
590	glycylphenylalanine	Peptide	Dipeptide	33954	LC/MS Pos Early	100001268	3068	223.10772	07/03/3321	92953	83909		HMDB28848	"3,046,688"	"1,907,220"	"2,749,926"	"2,509,354"	"2,447,037"	"2,431,287"	"1,538,255"	"2,551,266"	"1,443,043"	"1,278,896"	"665,930"	"951,236"	"969,364"	"1,016,260"	"2,238,182"	"2,620,615"	"1,293,355"	"1,606,610"	"1,745,146"	"1,078,651"
591	glycylproline	Peptide	Dipeptide	22171	LC/MS Pos Early	100000976	2324	173.09207	704-15-4	3013625	2282246		HMDB00721	"25,489,736"	"17,334,720"	"25,469,868"	"23,577,356"	"24,611,628"	"19,717,424"	"17,337,812"	"25,781,008"	"22,500,324"	"22,899,568"	"14,781,063"	"17,865,666"	"21,024,436"	"21,948,128"	"18,857,412"	"30,377,582"	"22,500,376"	"28,087,200"	"31,998,066"	"20,531,128"
592	glycylserine	Peptide	Dipeptide	33940	LC/MS Pos Early	100001261	1788	163.07134	7361-43-5	73086	65873		HMDB28850	"4,477,097"	"2,961,075"	"4,102,928"	"4,395,856"	"4,090,009"	"3,024,349"	"3,065,592"	"4,042,084"	"4,324,597"	"4,289,156"	"2,861,074"	"3,309,878"	"3,622,870"	"4,010,542"	"2,926,915"	"4,451,811"	"3,806,423"	"4,472,093"	"4,771,593"	"3,089,242"
596	glycyltyrosine	Peptide	Dipeptide	33958	LC/MS Pos Early	100001265	2631	239.10264	658-79-7	92829	83798		HMDB28853	"2,680,124"	"2,235,637"	"2,604,458"	"2,760,613"	"2,878,333"	"3,087,963"	"2,433,620"	"2,815,956"	"1,838,761"	"1,538,057"	"1,064,216"	"1,123,043"	"1,454,881"	"1,554,480"	"3,140,833"	"3,026,406"	"1,897,451"	"1,860,488"	"2,290,812"	"1,925,035"
597	glycylvaline	Peptide	Dipeptide	18357	LC/MS Pos Early	100000487	2734	175.10772	1963-21-9	97417	2006926		HMDB28854	"1,717,485"	"1,298,892"	"1,802,384"	"1,783,573"	"2,046,688"	"1,769,070"	"1,514,568"	"2,458,110"	"2,572,347"	"2,531,100"	"1,473,497"	"1,415,934"	"1,886,650"	"2,086,060"	"2,297,654"	"2,970,823"	"2,094,837"	"2,705,651"	"3,038,471"	"2,058,998"
4537	glyphosate	Xenobiotics	Chemical	38018	LC/MS Pos Early	100002148	593	170.02129	1071-83-6	3496	3376	C01705	HMDB00370																				
379	guanidinoacetate	Amino Acid	Creatine Metabolism	43802	LC/MS Pos Early	344	1937	118.06111	352-97-6	763	743	C00581	HMDB00128	"23,805,024"	"16,960,832"	"24,286,048"	"24,776,712"	"29,395,422"	"21,305,126"	"24,906,362"	"32,752,192"	"31,595,788"	"27,313,124"	"21,363,964"	"24,143,400"	"21,678,524"	"23,680,496"	"18,602,166"	"28,756,940"	"32,235,212"	"35,789,684"	"41,342,108"	"29,238,960"
3285	guanine	Nucleotide	"Purine Metabolism, Guanine containing"	32352	LC/MS Pos Early	172	2032	152.05669	73-40-5	764	744	C00242	HMDB00132	"1,979,124"	"1,232,430"	"1,980,376"	"1,708,129"	"2,440,879"	"2,064,542"	"2,421,370"	"1,721,723"	"1,588,232"	"1,503,873"	"1,225,667"	"2,259,731"	"1,694,209"	"1,424,517"	"1,220,515"	"1,521,287"	"1,776,787"	"1,884,068"	"2,219,763"	"2,010,492"
3284	guanosine	Nucleotide	"Purine Metabolism, Guanine containing"	1573	LC/MS Neg	1099	1662	282.08439	118-00-3	6802	6544	C00387	HMDB00133	"5,771,379"	"5,448,157"	"5,952,309"	"6,104,609"	"6,928,082"	"5,654,029"	"8,367,238"	"5,949,910"	"5,646,589"	"2,771,011"	"4,081,465"	"4,349,892"	"5,647,740"	"7,717,957"	"3,101,582"	"4,280,277"	"13,323,331"	"8,702,066"	"10,469,114"	"4,688,772"
3278	guanosine 5'- diphosphate (GDP)	Nucleotide	"Purine Metabolism, Guanine containing"	2848	LC/MS Neg	346	639	442.01706	43139-22-6	8977	8630	C00035	HMDB01201	"714,322"	"436,819"	"558,477"	"822,439"	"656,372"	"539,612"	"574,783"	"913,018"	"1,553,350"	"1,451,351"	"956,342"	"865,384"	"1,300,406"	"1,314,229"	"1,237,434"	"1,159,261"	"507,131"	"522,349"	"480,374"	"434,334"
3279	guanosine 5'- monophosphate (5'-GMP)	Nucleotide	"Purine Metabolism, Guanine containing"	2849	LC/MS Pos Early	347	800	364.06528	09/12/5550	6804	741	C00144	HMDB01397	"10,939,074"	"24,987,050"	"29,212,066"	"19,092,504"	"33,612,980"	"31,287,650"	"30,463,868"	"23,773,158"	"33,189,724"	"31,578,386"	"21,906,854"	"10,296,652"	"23,916,816"	"25,438,884"	"26,902,220"	"24,486,836"	"12,759,409"	"15,672,668"	"7,321,706"	"5,425,106"
1023	guanosine 5'-diphospho-fucose	Carbohydrate	Nucleotide Sugar	15903	LC/MS Neg	335	755	588.07497	15839-70-0		21402997			"421,145"	"221,500"	"369,607"	"474,174"	"610,733"	"349,252"	"494,357"	"503,281"	"480,641"	"325,807"	"360,455"	"463,687"	"402,731"	"597,653"	"557,989"	"514,443"	"416,010"	"397,730"	"389,872"	"311,310"
3277	guanosine 5'-triphosphate	Nucleotide	"Purine Metabolism, Guanine containing"	2847	LC/MS Neg	345	592	521.98338	373-49-9	6830	6569	C00044	HMDB01273	"298,993"			"97,908"					"109,025"	"69,892"		"331,973"	"125,319"		"142,343"		"86,922"	"92,605"		"270,971"
3421	gulonate*	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	46957	LC/MS Polar	100001586	2750	195.05102	20246-53-1	9794176	7969943	C00257	HMDB03290	"10,520,708"	"11,050,890"	"14,395,611"	"13,842,387"	"14,264,903"	"11,436,548"	"15,904,422"	"14,022,358"	"23,203,692"	"22,806,476"	"17,442,840"	"12,186,437"	"13,767,081"	"14,885,661"	"14,080,839"	"17,089,488"	"22,515,638"	"20,406,508"	"16,998,636"	"25,627,302"
2323	heptadecasphingosine (d17:1)	Lipid	Sphingolipid Metabolism	57427	LC/MS Pos Late	100015724	1377	286.27406	6918-48-5	5283557	4446670			"945,538"	"700,976"	"1,386,608"	"1,477,755"	"1,577,517"	"1,287,451"	"1,571,576"	"1,672,414"	"1,231,097"	"1,629,668"	"1,137,764"	"1,097,614"	"1,895,999"	"2,155,014"	"1,637,660"	"2,269,940"	"2,387,192"	"2,621,151"	"2,186,028"	"1,464,156"
1160	hexadecadienoate (16:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	57652	LC/MS Neg	100009394	5398	251.20165	28290-73-5		13628094		HMDB00477	"1,297,445"	"381,156"	"461,953"	"251,857"	"1,015,253"	"836,361"	"759,724"		"642,240"	"352,018"	"600,492"	"1,072,864"	"803,937"	"1,219,768"	"878,911"	"735,929"	"803,411"	"878,183"	"1,791,962"	"379,957"
1274	hexadecanedioate	Lipid	"Fatty Acid, Dicarboxylate"	35678	LC/MS Neg	100001614	4615	285.20713	505-54-4	10459	10027	C19615	HMDB00672	"398,564"	"257,849"	"338,983"	"514,771"	"438,438"	"144,411"	"1,234,811"	"458,719"	"1,050,112"	"329,206"	"601,854"	"462,877"	"531,153"	"724,724"	"221,908"	"361,200"	"529,697"	"376,491"	"302,706"	"117,551"
2331	hexadecasphinganine (d16:0)*	Lipid	Sphingolipid Metabolism	57544	LC/MS Pos Late	100015865	1300	274.27406		656816	571105	C13915		"148,941"		"370,374"	"293,136"	"293,776"		"302,718"	"348,224"	"282,442"	"357,202"	"232,521"	"245,106"	"406,057"	"506,618"	"272,586"	"615,013"	"520,990"	"433,506"	"380,167"	"181,213"
2324	hexadecasphingosine (d16:1)*	Lipid	Sphingolipid Metabolism	57428	LC/MS Pos Late	100015723	1289	272.25841			28533427			"8,182,556"	"5,727,996"	"12,646,068"	"13,683,106"	"13,413,757"	"10,272,584"	"14,312,893"	"13,889,661"	"10,814,512"	"13,618,536"	"9,396,330"	"9,883,846"	"16,857,160"	"17,773,332"	"14,048,730"	"18,239,658"	"20,918,398"	"20,523,184"	"15,801,288"	"11,468,328"
1350	hexanoylcarnitine (C6)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	32328	LC/MS Pos Early	100000781	3308	260.18564	6920-35-0	6426853	4932273		HMDB00705	"389,811"	"308,455"	"803,669"	"607,699"	"452,255"	"464,198"	"732,362"	"641,285"	"871,399"	"985,872"	"680,883"	"607,706"	"687,099"	"526,026"	"877,646"	"833,283"	"463,038"	"349,787"	"334,676"	"347,640"
3493	hippurate	Xenobiotics	Benzoate Metabolism	15753	LC/MS Neg	100000014	2106.9	178.05096	495-69-2	464	451	C01586	HMDB00714	"8,696,497"	"8,720,806"	"9,259,287"	"13,362,174"	"8,051,388"	"10,338,646"	"9,365,602"	"7,213,229"	"16,572,076"	"8,631,950"	"5,196,835"	"4,943,910"	"10,731,350"	"15,632,894"	"7,515,590"	"9,747,109"	"14,331,507"	"9,186,603"	"8,696,822"	"4,973,748"
62	histidine	Amino Acid	Histidine Metabolism	59	LC/MS Neg	355	755.9	154.0622	5934-29-2	6274	752	C00135	HMDB00177	"30,936,168"	"19,227,154"	"28,652,236"	"27,928,710"	"25,585,876"	"22,165,208"	"22,558,586"	"23,678,242"	"20,510,442"	"23,045,944"	"17,152,276"	"17,753,632"	"17,228,308"	"18,399,290"	"20,039,824"	"24,848,504"	"23,095,988"	"23,837,758"	"25,541,628"	"23,016,850"
603	histidylarginine	Peptide	Dipeptide	42091	LC/MS Pos Early	100003554	3273	312.17787	77369-21-2	9922740	8098375			"1,447,221"	"865,017"	"1,380,275"	"1,467,735"	"1,794,388"	"1,052,720"	"1,290,648"	"1,431,149"	"1,575,318"	"1,034,067"	"1,789,780"	"2,146,482"	"2,051,393"	"1,861,436"	"910,271"	"2,058,128"	"1,362,444"	"1,739,180"	"2,061,096"	"876,957"
598	histidylaspartate	Peptide	Dipeptide	42071	LC/MS Pos Early	100003550	2915	271.1037	41658-60-0	9860223	8035922			"5,398,861"	"3,520,882"	"4,963,553"	"5,329,567"	"4,768,573"	"4,223,038"	"3,594,900"	"4,519,879"	"4,362,650"	"4,529,314"	"2,619,747"	"2,917,281"	"3,783,836"	"3,992,804"	"3,860,863"	"5,019,425"	"4,275,364"	"4,811,067"	"5,132,329"	"3,668,351"
599	histidylglutamate	Peptide	Dipeptide	41963	LC/MS Pos Early	100003551	2961	285.11935	53634-28-9	9838731	8014451		HMDB28884	"9,006,866"	"6,927,530"	"9,315,448"	"8,950,124"	"7,564,894"	"8,983,573"	"6,063,183"	"7,845,445"	"6,605,715"	"7,937,897"	"4,255,449"	"4,629,847"	"5,675,220"	"5,624,547"	"7,558,888"	"8,504,834"	"7,398,360"	"8,666,772"	"9,446,996"	"8,801,057"
600	histidylglycine	Peptide	Dipeptide	41368	LC/MS Pos Early	100003541	2970	213.09822	2578-58-7	351662	312227		HMDB28885	"32,279,460"	"21,230,066"	"31,718,358"	"33,348,676"	"34,570,784"	"30,503,512"	"22,846,212"	"36,281,576"	"29,460,192"	"27,934,162"	"14,471,177"	"18,774,132"	"23,162,488"	"22,598,470"	"27,334,554"	"38,027,460"	"31,747,766"	"38,166,380"	"41,287,728"	"29,432,788"
606	histidylleucine	Peptide	Dipeptide	40061	LC/MS Pos Early	100003162	3340	269.16082	7763-65-7	189008	164234	C05010	HMDB28889	"8,673,071"	"5,843,392"	"8,030,394"	"8,929,951"	"7,432,112"	"8,123,202"	"4,284,115"	"8,259,469"	"5,253,442"	"5,601,955"	"2,939,118"	"3,703,095"	"4,277,967"	"4,115,080"	"5,917,696"	"8,481,900"	"5,624,612"	"6,978,798"	"7,819,723"	"6,436,875"
601	histidyllysine	Peptide	Dipeptide	41960	LC/MS Pos Early	100003553	3247	284.17172	151151-29-0	435717	385344			"1,872,271"	"1,361,163"	"2,280,845"	"2,419,038"	"2,445,618"	"1,941,219"	"1,146,982"	"2,368,634"	"1,660,419"	"1,558,005"	"1,027,296"	"1,365,158"	"1,385,991"	"1,439,564"	"1,652,408"	"2,520,844"	"1,899,046"	"1,928,865"	"2,256,642"	"1,586,419"
607	histidylmethionine	Peptide	Dipeptide	41965	LC/MS Pos Early	100003545	3161	287.11724	01/11/2488					"361,125"	"180,677"	"195,097"	"493,132"	"312,279"	"274,825"		"318,445"					"237,040"		"201,242"	"429,651"	"276,365"	"243,909"	"249,172"	"273,825"
608	histidylphenylalanine	Peptide	Dipeptide	42084	LC/MS Pos Early	100003547	3320	303.14517	16874-81-0	4466133	3664633		HMDB28892	"1,851,784"	"1,511,106"	"2,083,977"	"2,446,756"	"1,718,110"	"1,926,686"	"1,033,661"	"1,772,779"	"1,773,650"	"2,010,258"	"1,040,180"	"1,137,290"	"979,528"	"1,034,651"	"1,695,763"	"2,190,993"	"1,188,871"	"1,354,640"	"1,569,709"	"1,356,276"
609	histidylproline	Peptide	Dipeptide	42093	LC/MS Pos Early	100003546	2998	253.12952	20930-58-9		10608298		HMDB28893	"3,122,690"	"1,860,402"	"2,798,163"	"2,656,549"	"2,397,344"	"2,206,644"	"1,195,524"	"2,019,145"	"1,701,302"	"1,924,483"	"964,241"	"1,182,640"	"1,395,298"	"1,375,916"	"1,764,514"	"2,574,203"	"1,803,324"	"2,292,137"	"2,383,433"	"1,889,614"
611	histidyltryptophan	Peptide	Dipeptide	41912	LC/MS Pos Early	100003549	3320	342.15607	23403-90-9	6539217	5021683		HMDB28896	"722,143"	"624,397"	"670,686"	"751,231"	"511,533"	"862,768"	"304,211"	"559,484"	"231,279"	"286,764"	"113,629"	"107,283"	"227,218"	"189,352"	"589,468"	"708,035"	"331,024"	"370,445"	"437,536"	"437,870"
612	histidyltyrosine	Peptide	Dipeptide	41899	LC/MS Neg	100003548	1740	317.12553	35979-00-1	435685	385315			"92,380"	"131,097"	"84,148"	"118,980"	"59,867"	"129,177"	"32,862"	"66,558"	"30,809"	"17,112"			"23,787"	"53,768"	"49,926"	"62,406"	"69,689"	"48,645"	"52,575"	"18,423"
613	histidylvaline	Peptide	Dipeptide	42069	LC/MS Pos Early	100003544	3201	255.14517	76019-15-3	7021871	16568319		HMDB28898	"2,097,914"	"1,980,491"	"2,150,916"	"2,916,724"	"1,904,803"	"1,878,617"	"1,163,977"	"3,262,029"	"1,704,194"	"1,393,873"	"623,459"	"1,038,997"	"1,037,231"	"1,147,423"	"1,879,350"	"2,924,751"	"1,674,350"	"2,377,293"	"2,837,601"	"2,124,357"
322	homocysteine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	15128	LC/MS Pos Early	311	2155	136.04268	454-29-5	778	757	C00155	HMDB00742	"5,267,988"	"1,442,862"	"4,440,085"	"5,390,924"	"2,179,333"	"1,252,136"	"1,441,223"	"2,356,576"	"3,365,436"	"3,301,605"	"3,030,355"	"3,320,666"	"4,145,602"	"4,202,542"	"2,360,692"	"4,996,924"	"2,749,013"	"3,875,171"	"4,176,742"	"1,884,114"
23	homoserine lactone	Amino Acid	"Glycine, Serine and Threonine Metabolism"	15696	LC/MS Pos Early	100000262	1980	102.05496	06/02/2185	445963	393441	C02926		"4,305,111"	"1,178,553"	"5,573,915"	"4,166,103"	"4,463,003"	"2,601,098"	"4,709,685"	"3,857,966"	"4,324,654"	"3,574,017"	"3,243,759"	"3,665,434"	"4,937,681"	"4,859,539"	"2,801,536"	"6,073,583"	"3,565,948"	"3,320,472"	"3,615,811"	"2,067,236"
338	hypotaurine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	590	LC/MS Pos Early	358	724	110.02703	300-84-5	107812	96959	C00519	HMDB00965	"38,037,652"	"51,148,568"	"62,870,092"	"42,584,672"	"39,156,116"	"76,561,800"	"68,543,376"	"39,893,236"	"55,606,364"	"64,356,460"	"28,907,656"	"23,461,128"	"41,592,900"	"47,118,784"	"70,352,456"	"44,402,280"	"50,961,648"	"47,423,568"	"51,035,404"	"72,722,576"
3228	hypoxanthine	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	3127	LC/MS Neg	171	1291.2	135.03123	68-94-0	790	768	C00262	HMDB00157	"44,921,236"	"28,543,876"	"38,975,528"	"42,544,080"	"44,759,744"	"26,897,558"	"45,342,924"	"40,100,940"	"37,876,612"	"37,620,784"	"39,854,540"	"47,446,132"	"45,254,836"	"41,734,312"	"29,252,740"	"48,160,748"	"47,034,840"	"50,087,420"	"53,147,008"	"36,112,464"
71	imidazole propionate	Amino Acid	Histidine Metabolism	40730	LC/MS Pos Early	100003434	2263	141.06586	1074-59-5	70630	63798		HMDB02271	"193,156"	"160,188"	"203,532"	"189,012"	"163,922"	"114,337"	"249,342"	"116,719"	"306,950"	"196,995"	"243,933"	"243,789"	"237,218"	"362,202"	"191,161"	"207,617"	"685,458"	"714,844"		"142,420"
229	indoleacetate	Amino Acid	Tryptophan Metabolism	27513	LC/MS Neg	100001034	2200	174.05605	6505-45-9	802	780	C00954	HMDB00197			"49,757"	"55,540"	"57,860"		"69,988"	"50,219"	"80,160"	"42,978"	"35,522"	"29,306"	"22,218"	"48,128"	"45,947"	"45,269"	"88,674"	"59,639"	"47,287"	"38,118"
3227	inosine	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	1123	LC/MS Pos Early	361	1269	269.08805	58-63-9	6021	21241953	C00294	HMDB00195	"296,823,104"	"227,203,552"	"307,454,912"	"298,279,264"	"363,063,424"	"269,013,312"	"387,107,936"	"339,215,488"	"301,043,296"	"277,879,616"	"352,057,408"	"354,585,760"	"364,561,760"	"364,836,256"	"255,034,848"	"363,643,008"	"380,840,992"	"410,967,072"	"437,117,440"	"320,118,848"
3226	inosine 5'-monophosphate (IMP)	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	2133	LC/MS Pos Early	362	650	349.05438	4691-65-0	8582	5482599	C00130	HMDB00175	"3,999,866"	"6,567,147"	"7,637,171"	"7,204,216"	"11,496,180"	"7,831,335"	"9,242,649"	"12,391,018"	"10,535,442"	"8,977,232"	"10,101,383"	"7,079,784"	"14,315,336"	"14,027,026"	"13,372,764"	"13,038,575"	"10,548,158"	"9,492,365"	"6,514,687"	"5,000,202"
1598	inositol 1-phosphate (I1P)	Lipid	Inositol Metabolism	43849	LC/MS Polar	370	4785	259.02244	573-35-3;106032-59-1	440194	17215924	C01177	HMDB00213	"770,552"	"241,962"	"711,672"	"979,591"	"723,177"	"470,118"	"691,359"	"620,792"	"864,904"	"675,989"	"394,208"	"617,618"	"824,310"	"758,668"	"560,759"	"758,429"	"793,712"	"832,413"	"1,101,842"	"580,948"
304	isobutyrylcarnitine (C4)	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	33441	LC/MS Pos Early	100001055	2810	232.15434	25518-49-4	168379			HMDB00736	"5,153,081"	"2,015,272"	"3,272,998"	"3,695,681"	"1,835,287"	"2,031,595"	"1,864,245"	"1,610,727"	"2,379,351"	"3,518,109"	"2,585,977"	"2,378,077"	"1,813,724"	"2,926,039"	"1,675,611"	"2,354,590"	"1,455,496"	"2,554,606"	"1,863,732"	"1,620,074"
278	isoleucine	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	1125	LC/MS Pos Early	376	2800	132.10191	73-32-5	6306	769	C00407	HMDB00172	"1,518,457,216"	"1,246,695,936"	"1,484,199,680"	"1,427,335,168"	"1,272,546,688"	"1,230,993,664"	"1,107,907,072"	"1,317,910,784"	"1,214,107,520"	"1,249,580,160"	"1,043,662,976"	"1,081,196,160"	"1,074,814,336"	"1,154,083,072"	"1,077,693,568"	"1,317,892,736"	"1,206,670,976"	"1,284,922,368"	"1,394,882,688"	"1,184,892,160"
615	isoleucylalanine	Peptide	Dipeptide	40046	LC/MS Pos Early	100003163	2742	203.13902	24787-73-3	5246009	4414311		HMDB28900	"2,017,675"	"1,028,789"	"1,754,855"	"2,041,400"	"1,969,853"	"1,308,105"	"1,136,460"	"1,869,741"	"1,785,341"	"1,578,586"	"890,385"	"1,159,782"	"1,606,671"	"1,680,244"	"1,527,428"	"2,135,359"	"1,841,919"	"2,156,381"	"2,272,600"	"1,341,997"
616	isoleucylarginine	Peptide	Dipeptide	40071	LC/MS Pos Early	100003164	3170	288.20302	55715-01-0	9900561	8076216			"4,459,016"	"3,724,818"	"4,363,542"	"7,174,774"	"3,643,669"	"2,803,913"	"2,180,001"	"7,138,831"	"5,585,407"	"4,487,784"	"2,516,901"	"2,297,037"	"4,050,585"	"4,602,873"	"3,078,452"	"6,273,895"	"4,229,197"	"6,059,823"	"6,245,637"	"2,428,485"
619	isoleucylglutamate	Peptide	Dipeptide	40057	LC/MS Pos Early	100003168	2650	261.1445	42516-53-0		16568323			"750,445"	"501,413"	"670,404"	"768,139"	"906,405"	"573,227"	"548,647"	"871,245"	"962,291"	"732,243"	"677,773"	"801,514"	"994,609"	"1,074,287"	"738,099"	"983,728"	"642,092"	"1,098,425"	"1,084,305"	"480,417"
620	isoleucylglutamine	Peptide	Dipeptide	40019	LC/MS Pos Early	100003167	2556	260.16049	59652-60-7	7020102	16044755			"2,367,055"	"940,388"	"2,611,540"	"2,820,688"	"2,436,667"	"1,648,194"	"1,825,181"	"2,639,518"	"3,545,079"	"3,170,315"	"1,687,457"	"1,514,307"	"2,967,346"	"3,014,490"	"2,088,690"	"4,175,695"	"2,935,902"	"3,377,250"	"4,035,647"	"1,381,928"
621	isoleucylglycine	Peptide	Dipeptide	40008	LC/MS Neg	100003169	1992	187.10881	868-28-0	342532	303621		HMDB28907	"2,454,626"	"929,008"	"1,533,237"	"2,302,434"	"2,070,500"	"1,145,712"	"944,443"	"1,719,005"	"2,102,452"	"1,517,222"	"1,118,602"	"1,420,483"	"1,676,453"	"1,783,863"	"1,217,036"	"2,701,238"	"1,977,459"	"2,370,534"	"2,402,409"	"1,539,669"
622	isoleucylhistidine	Peptide	Dipeptide	40085	LC/MS Neg	100003170	2100	267.14626	97284-12-3		16568325			"257,907"		"193,798"	"388,377"	"417,580"		"170,775"	"319,076"	"387,608"	"94,314"	"206,155"	"179,907"	"416,074"	"624,590"	"143,951"	"209,877"	"749,979"	"656,650"	"776,062"	"200,098"
806	isoleucylleucine/leucylisoleucine	Peptide	Dipeptide	52322	LC/MS Pos Early	100008939	3242	245.18597						"996,730"	"677,527"	"1,459,287"	"2,321,006"	"911,894"	"664,287"	"704,021"	"1,313,075"	"2,171,350"	"1,925,909"	"1,172,254"	"894,612"	"1,218,511"	"1,655,509"	"975,619"	"1,920,223"	"1,420,719"	"2,036,334"	"2,026,905"	"561,315"
628	isoleucylproline	Peptide	Dipeptide	35418	LC/MS Pos Early	100001135	2906	229.15467		342734	21403090		HMDB11174	"12,983,584"	"7,553,704"	"11,519,481"	"11,439,194"	"10,764,957"	"10,297,913"	"6,345,832"	"9,946,687"	"7,946,892"	"8,164,523"	"4,469,132"	"5,534,858"	"7,240,787"	"6,868,821"	"8,136,958"	"11,273,817"	"8,897,042"	"10,662,317"	"11,266,650"	"10,137,889"
629	isoleucylserine	Peptide	Dipeptide	40012	LC/MS Pos Early	100003174	2579	219.13394	6403-14-1	7021816	15948496		HMDB28916	"1,191,302"		"1,412,861"	"1,548,086"	"1,382,604"	"1,036,558"	"751,198"	"1,679,571"	"1,575,166"	"1,247,670"	"1,339,996"	"1,089,769"	"2,115,200"	"1,298,388"	"677,128"	"2,074,227"	"1,595,163"	"1,349,663"	"1,428,292"	"714,966"
630	isoleucylthreonine	Peptide	Dipeptide	42968	LC/MS Pos Early	100003175	2614	233.14959		16122515	16568328		HMDB28917	"1,269,920"	"627,820"	"874,451"	"1,082,342"	"1,054,885"	"695,447"	"603,625"	"1,000,057"	"991,104"	"1,067,835"	"518,199"	"772,959"	"1,036,415"	"1,196,811"	"912,203"	"1,474,338"	"985,851"	"1,737,183"	"1,559,989"	"713,722"
633	isoleucylvaline	Peptide	Dipeptide	40049	LC/MS Pos Early	100003178	2995	231.17032	41017-96-3	435949	385545		HMDB28920	"325,110"	"100,956"	"279,280"	"333,970"	"209,183"		"88,189"	"197,474"	"362,851"	"425,552"	"229,327"	"191,587"	"134,948"	"225,192"	"162,544"	"357,237"	"273,231"	"264,944"	"386,247"	
255	isovalerylcarnitine (C5)	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	34407	LC/MS Pos Early	100001393	3085	246.16999	31023-24-2	6426851	4932271		HMDB00688	"6,185,774"	"3,043,281"	"4,750,325"	"3,864,620"	"2,581,765"	"3,682,149"	"4,235,743"	"2,782,626"	"4,338,140"	"4,425,647"	"3,330,618"	"2,781,860"	"2,638,851"	"2,932,099"	"3,858,635"	"2,927,199"	"2,851,301"	"2,623,295"	"2,354,034"	"2,729,478"
212	kynurenate	Amino Acid	Tryptophan Metabolism	1417	LC/MS Neg	98	2224	188.03531	492-27-3	3845	3712	C01717	HMDB00715	"159,648"	"73,396"	"60,873"	"232,147"	"251,877"	"90,926"	"124,106"	"217,161"	"323,916"	"83,816"	"69,844"	"135,609"	"301,910"	"453,421"	"85,100"	"285,444"	"131,225"	"198,959"	"188,703"	"48,926"
208	kynurenine	Amino Acid	Tryptophan Metabolism	15140	LC/MS Pos Early	100000265	2739	209.09207	2922-83-0	161166	141580	C00328	HMDB00684	"71,332,520"	"18,104,324"	"32,446,320"	"60,277,284"	"66,450,636"	"22,392,848"	"37,457,132"	"64,632,236"	"77,058,416"	"41,683,004"	"34,856,352"	"69,511,440"	"69,503,416"	"64,416,012"	"29,830,040"	"68,868,248"	"31,583,348"	"59,803,064"	"69,794,848"	"34,426,184"
895	lactate	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	527	LC/MS Polar	482	1468.8	89.02442	79-33-4	612	592	C00186	HMDB00190	"265,920,112"	"107,817,736"	"188,604,512"	"231,162,384"	"222,667,680"	"68,177,840"	"129,890,640"	"215,559,712"	"303,909,856"	"234,519,408"	"235,157,344"	"298,209,280"	"252,465,440"	"239,986,368"	"138,997,824"	"312,020,960"	"247,773,456"	"313,583,744"	"251,788,016"	"209,109,392"
951	lactose	Carbohydrate	Disaccharides and Oligosaccharides	567	LC/MS Polar	393	3500	387.11442	5965-66-2	84571	5904	C00243	HMDB00186	"37,014,192"	"47,558,104"	"50,864,404"	"53,423,496"	"23,823,762"	"31,632,300"	"17,185,754"	"23,864,296"	"27,370,412"	"34,670,672"	"26,280,524"	"24,455,146"	"30,713,918"	"24,792,512"	"30,549,222"	"38,874,276"	"27,072,052"	"31,271,648"	"28,071,796"	"30,469,824"
2391	lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*	Lipid	Ceramides	57370	LC/MS Pos Late	100015620	3778	972.73457			24846896			"2,536,076"	"1,926,747"	"2,596,443"	"3,450,190"	"2,664,524"	"2,189,702"	"2,517,697"	"2,067,492"	"1,706,546"	"2,795,079"	"2,302,574"	"2,516,769"	"2,602,200"	"2,542,188"	"2,346,750"	"2,506,114"	"2,714,584"	"2,893,080"	"2,884,520"	"1,869,886"
2389	lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	53010	LC/MS Pos Late	100009030	2527	862.62502	4201-62-1					"1,671,027"	"1,513,417"	"1,666,422"	"2,138,905"	"1,509,945"	"1,374,456"	"1,437,316"	"1,796,354"	"1,309,986"	"1,617,516"	"1,458,198"	"1,504,796"	"1,572,738"	"1,622,387"	"1,430,154"	"1,561,261"	"1,642,481"	"1,865,120"	"1,823,501"	"1,533,364"
4541	lanthionine	Xenobiotics	Chemical	42002	LC/MS Pos Early	100003892	1730	209.05906	02/08/3183	98504	88959			"305,566"	"410,757"	"654,440"	"626,976"	"449,915"	"354,506"	"654,486"		"873,216"	"903,997"	"847,256"	"590,437"	"894,843"	"774,450"	"415,715"	"330,916"	"834,539"	"575,207"	"621,855"	
1118	laurate (12:0)	Lipid	Medium Chain Fatty Acid	1645	LC/MS Neg	181	5300	199.17035	143-07-7	3893	3756	C02679	HMDB00638	"6,665,322"	"2,761,943"	"3,981,235"	"5,754,046"	"4,672,647"	"3,739,557"	"4,793,498"	"4,468,671"	"4,388,745"	"4,284,643"	"6,105,207"	"5,669,834"	"5,905,042"	"5,456,179"	"5,887,490"	"5,334,805"	"4,088,385"	"5,636,864"	"5,377,306"	"5,140,989"
1356	laurylcarnitine (C12)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	34534	LC/MS Pos Late	100001392	1235	344.27954	25518-54-1	10427569	8602997		HMDB02250			"119,603"	"78,272"	"124,488"		"71,065"	"160,290"	"141,012"	"179,199"	"173,057"	"60,619"	"118,829"		"145,800"	"140,135"				"97,239"
244	leucine	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	60	LC/MS Pos Early	397	2864	132.10191	61-90-5	6106	5880	C00123	HMDB00687	"2,190,176,768"	"1,701,643,904"	"2,143,095,296"	"2,059,421,440"	"1,917,987,584"	"1,775,170,304"	"1,683,159,808"	"1,898,604,544"	"1,850,831,104"	"1,818,956,032"	"1,438,336,512"	"1,571,593,216"	"1,567,116,160"	"1,704,332,800"	"1,553,648,256"	"1,979,837,056"	"1,736,747,904"	"1,945,502,592"	"2,042,768,128"	"1,735,847,168"
635	leucylarginine	Peptide	Dipeptide	40028	LC/MS Neg	100003180	2360	286.18846	26607-15-8	3800205	3027543			"123,109"	"133,838"	"144,062"	"270,718"	"130,406"	"155,491"	"78,029"	"167,347"	"284,623"	"98,942"		"38,110"	"141,254"	"249,315"	"121,503"	"126,933"	"270,005"	"242,145"	"212,081"	
638	leucylglutamate	Peptide	Dipeptide	40021	LC/MS Pos Early	100003184	2711	261.1445	16364-31-1	5259590	4424891			"247,616"	"183,720"	"297,892"	"191,292"	"228,666"			"263,925"	"345,482"	"300,799"			"214,713"	"243,489"	"120,362"	"336,980"	"253,419"	"279,327"		
805	leucylglutamine*	Peptide	Dipeptide	48189	LC/MS Pos Early	100003183	2620	260.1605		4305457	3511125		HMDB28927	"597,068"	"575,981"	"871,751"	"897,136"	"533,184"	"818,212"	"534,380"	"835,512"	"983,054"	"898,883"	"645,403"	"539,784"	"739,823"	"1,293,233"	"1,046,708"	"1,139,016"	"911,536"	"2,008,821"	"1,834,985"	"429,058"
639	leucylglycine	Peptide	Dipeptide	40045	LC/MS Pos Early	100003185	2778	189.12337	686-50-0	79070	71402		HMDB28929	"1,079,786"	"724,689"	"854,664"	"1,095,873"	"1,147,175"	"517,204"	"679,924"	"1,099,062"	"1,270,846"	"935,872"	"1,239,035"	"1,085,926"	"1,580,703"	"1,626,507"	"843,646"	"1,422,240"	"1,097,472"	"1,528,596"	"1,451,385"	"853,298"
640	leucylhistidine	Peptide	Dipeptide	40077	LC/MS Neg	100003186	2164	267.14626	38062-72-5	341684	302831			"83,242"		"69,380"	"40,304"	"84,592"		"50,283"	"91,045"	"153,243"	"36,319"	"23,800"	"35,430"	"77,398"	"116,366"	"31,296"	"33,840"	"186,017"	"132,400"		"34,977"
642	leucylleucine	Peptide	Dipeptide	36756	LC/MS Pos Early	100001710	3285	245.18597	3303-31-9	76807	69263	C11332	HMDB28933	"466,123"	"315,413"	"560,451"	"900,417"	"406,713"	"353,974"	"329,195"	"552,185"	"913,298"	"1,070,298"	"650,217"	"536,782"	"506,000"	"688,627"	"484,063"	"790,463"	"530,480"	"938,079"	"845,050"	"269,793"
807	leucylphenylalanine/isoleucylphenylalanine	Peptide	Dipeptide	52415	LC/MS Neg	100008951	4073	277.15576						"74,202"	"76,210"	"113,240"	"218,014"	"63,893"	"148,601"	"52,077"	"98,211"	"226,902"	"67,267"			"86,408"	"198,738"	"82,851"	"125,477"	"186,424"	"161,602"	"160,251"	
645	leucylproline	Peptide	Dipeptide	35663	LC/MS Pos Early	100001574	2971	229.15467	87178-63-0	80817	21403172		HMDB11175	"11,172,526"	"7,192,713"	"10,082,122"	"10,699,452"	"9,970,718"	"8,638,879"	"6,209,273"	"9,051,362"	"7,173,308"	"7,643,837"	"4,552,636"	"5,807,299"	"6,637,104"	"6,730,298"	"7,518,733"	"10,922,210"	"8,464,041"	"9,954,774"	"10,533,620"	"9,143,277"
646	leucylserine	Peptide	Dipeptide	40048	LC/MS Pos Early	100003190	2643	219.13394	07/12/6209	3621685	2856650			"348,981"		"454,012"	"660,972"	"500,560"	"378,922"	"299,328"	"595,923"	"782,081"	"697,081"	"475,756"	"363,011"	"762,731"	"750,104"	"973,473"	"863,839"	"767,839"	"1,875,457"	"1,792,396"	"172,143"
647	leucylthreonine	Peptide	Dipeptide	42969	LC/MS Pos Early	100003191	2682	233.14959		10353878	16568334		HMDB28939	"304,692"	"169,386"	"484,331"	"475,809"	"328,299"	"184,141"	"401,794"	"544,679"	"602,436"	"639,037"	"280,045"	"284,874"	"614,809"	"688,467"	"469,440"	"623,385"	"553,399"	"759,394"	"675,940"	
2289	lignoceroyl sphingomyelin (d18:1/24:0)	Lipid	Sphingolipid Metabolism	57330	LC/MS Pos Late	100006298	3437	815.70006	60037-60-7		24846875			"41,279,608"	"19,395,328"	"34,158,932"	"57,976,212"	"51,059,732"	"21,009,594"	"30,958,348"	"56,302,484"	"39,536,560"	"39,370,952"	"36,425,200"	"49,125,488"	"57,247,840"	"53,332,480"	"22,845,814"	"57,269,420"	"43,394,140"	"60,608,024"	"48,990,124"	"22,432,288"
1387	lignoceroylcarnitine (C24)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57515	LC/MS Pos Late	100015834	1603	512.46733						"64,890"	"146,323"	"132,950"	"118,360"	"164,889"	"213,870"	"148,431"	"146,663"	"164,224"	"184,114"	"121,814"	"116,254"		"171,162"	"250,194"	"224,203"	"224,356"	"188,187"	"192,485"	"191,347"
1172	linoleate (18:2n6)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	1105	LC/MS Neg	180	5535	279.23295	60-33-3	5280450	4444105	C01595	HMDB00673	"673,516,544"	"115,710,144"	"186,469,552"	"204,463,808"	"430,852,928"	"129,123,560"	"211,885,680"	"574,371,072"	"154,778,944"	"106,720,832"	"170,681,232"	"501,140,384"	"263,908,912"	"541,755,072"	"327,517,536"	"180,481,232"	"258,535,248"	"190,989,024"	"502,034,048"	"139,087,728"
1174	linolenate [alpha or gamma; (18:3n3 or 6)]	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	34035	LC/MS Neg	100001337	5450	277.2173		5280934	4444437	C06426	HMDB03073	"19,746,268"	"3,648,893"	"5,673,154"	"5,016,327"	"9,870,904"	"4,676,810"	"6,435,113"	"12,137,997"	"3,944,819"	"3,473,429"	"5,160,183"	"13,566,653"	"9,037,820"	"16,244,972"	"10,504,929"	"5,346,471"	"6,693,976"	"6,762,516"	"15,897,776"	"4,151,113"
1363	linolenoylcarnitine (C18:3)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57511	LC/MS Pos Late	100015831	1310	422.32649						"241,381"		"247,630"	"274,799"	"372,827"		"161,276"	"456,721"	"273,742"	"210,935"	"284,536"	"359,394"	"364,951"	"399,648"	"321,870"	"499,080"	"490,323"	"453,162"	"317,744"	"299,129"
1575	linoleoyl ethanolamide	Lipid	Endocannabinoid	52608	LC/MS Neg	100006726	6150	322.27515	68171-52-8	5283446	4446566		HMDB12252	"583,809"	"78,585"	"174,607"	"107,647"	"502,984"	"172,909"	"203,755"	"426,754"	"205,556"	"143,979"	"205,573"	"481,352"	"244,175"	"604,374"	"381,486"	"176,149"	"233,642"	"143,931"	"506,688"	"73,369"
2231	linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*	Lipid	Diacylglycerol	54968	LC/MS Pos Late	100010941	2689	634.54051					HMDB07248	"5,407,950"	"3,582,542"	"4,590,914"	"5,450,620"	"4,837,959"	"4,523,080"	"4,168,103"	"3,347,036"	"2,772,328"	"4,128,268"	"2,866,585"	"3,878,611"	"2,993,291"	"3,827,754"	"3,899,305"	"3,193,219"	"3,488,580"	"4,012,732"	"4,011,892"	"3,720,027"
1362	linoleoylcarnitine (C18:2)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	46223	LC/MS Pos Late	100003151	1430	424.34214	36816-10-1	6450015	4952667		HMDB06469	"2,246,204"	"1,121,107"	"3,455,398"	"3,309,233"	"4,158,819"	"1,135,073"	"2,245,838"	"4,549,465"	"3,765,381"	"3,175,792"	"3,455,365"	"3,759,076"	"3,650,540"	"3,450,925"	"4,171,306"	"5,339,607"	"4,469,984"	"5,341,946"	"3,951,062"	"3,665,018"
1407	linoleoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	57463	LC/MS Pos Late	100015760	1388	366.33666						"168,240"	"292,158"	"150,572"	"248,132"	"170,381"	"117,708"	"159,597"	"208,507"	"294,482"	"301,300"	"334,898"	"177,363"	"204,257"	"195,703"	"214,150"	"215,920"	"389,756"	"439,854"	"369,315"	"309,215"
84	lysine	Amino Acid	Lysine Metabolism	1301	LC/MS Pos Early	407	2850	147.11281	56-87-1	5962	5747	C00047	HMDB00182	"1,352,749,696"	"1,044,662,144"	"1,289,901,696"	"1,263,623,424"	"1,256,112,896"	"1,187,418,112"	"989,370,048"	"1,329,345,536"	"1,198,819,200"	"1,186,577,408"	"807,929,536"	"891,459,392"	"887,087,232"	"996,147,200"	"945,587,520"	"1,207,587,200"	"1,089,958,400"	"1,205,937,408"	"1,231,444,096"	"1,018,256,832"
651	lysylalanine	Peptide	Dipeptide	42006	LC/MS Pos Early	100003556	3057	218.14992	17043-71-9	4106167	3319994		HMDB28944	"1,965,020"	"1,341,940"	"1,837,135"	"1,838,457"	"2,464,536"	"1,415,212"	"1,505,682"	"2,143,847"	"2,351,217"	"1,706,248"	"1,327,702"	"1,935,176"	"2,249,564"	"2,234,615"	"1,568,011"	"3,197,122"	"1,927,979"	"2,872,353"	"2,937,642"	"1,249,633"
655	lysylaspartate	Peptide	Dipeptide	42070	LC/MS Pos Early	100003565	2979	262.13975	20556-18-7	3294435	2543051			"646,267"			"670,783"	"748,962"	"605,302"		"796,752"		"692,582"					"884,060"	"1,236,824"	"905,972"	"922,571"	"1,109,357"	"860,550"
809	lysylglutamine	Peptide	Dipeptide	54768	LC/MS Pos Early	100009310	2979	275.17139		16058901	10628316			"6,189,323"	"4,056,067"	"5,884,489"	"5,968,966"	"7,517,249"	"5,233,053"	"4,379,813"	"6,456,245"	"6,735,030"	"5,696,761"	"4,431,463"	"5,177,713"	"7,053,394"	"6,781,590"	"5,064,466"	"9,465,388"	"5,837,543"	"8,017,567"	"8,457,348"	"5,170,125"
656	lysylglycine	Peptide	Dipeptide	42057	LC/MS Polar	100003555	4166	202.11971	40719-58-2	259320	227624			"207,174"	"128,141"	"114,248"	"370,295"	"236,432"	"154,867"	"50,554"	"291,378"	"223,988"	"140,586"	"40,697"	"112,999"		"98,442"	"106,890"	"216,581"	"192,895"	"283,408"		"129,034"
657	lysylisoleucine	Peptide	Dipeptide	40056	LC/MS Pos Early	100003195	3350	260.19687	20556-13-2		16568341		HMDB28954	"195,410"	"102,859"	"162,345"	"265,086"	"338,678"	"130,916"	"112,105"	"246,459"	"244,071"	"156,604"	"85,146"	"135,745"	"185,787"	"213,214"		"286,616"	"190,717"	"304,028"	"157,727"	"145,060"
658	lysylleucine	Peptide	Dipeptide	40020	LC/MS Pos Early	100003196	3370	260.19687	7369-79-1	4682588	3870665		HMDB28955	"1,053,437"	"490,275"	"909,532"	"837,967"	"1,002,834"	"714,477"	"403,495"	"850,117"	"498,483"	"489,551"	"285,508"	"426,047"	"480,328"	"536,056"	"613,893"	"1,083,599"	"441,064"	"686,622"	"881,209"	"346,033"
659	lysyllysine	Peptide	Dipeptide	42090	LC/MS Pos Early	100003567	3293	275.20777	13184-13-9	4293571	3499731		HMDB28956	"906,331"	"727,777"	"857,958"	"858,476"	"1,104,746"	"795,807"	"582,273"	"965,800"	"694,550"	"731,264"	"398,997"	"542,320"	"704,834"	"548,307"	"612,030"	"1,240,382"	"650,571"	"852,000"	"802,291"	"643,287"
661	lysylphenylalanine	Peptide	Dipeptide	42080	LC/MS Pos Early	100003562	3350	294.18122	4078-58-4	3459978	2701928		HMDB28958	"350,105"	"216,020"	"284,680"	"290,585"	"265,951"	"262,968"	"171,691"	"253,642"	"131,479"	"110,659"				"157,075"	"172,699"	"297,073"			"157,934"	"88,804"
662	lysylproline	Peptide	Dipeptide	40666	LC/MS Pos Early	100003561	3078	244.16557	52766-27-5	3463861	2705593		HMDB28959	"5,735,317"	"3,761,655"	"5,013,653"	"5,158,010"	"5,387,507"	"4,013,870"	"2,668,951"	"5,773,845"	"4,470,720"	"4,395,486"	"1,945,169"	"2,881,457"	"2,950,651"	"2,863,550"	"3,854,342"	"6,366,536"	"4,464,891"	"5,370,844"	"5,473,837"	"3,641,254"
654	lysylserine	Peptide	Dipeptide	42035	LC/MS Polar	100003557	4271	232.13028	275366-32-0	11183890	9358975			"28,166"		"57,546"	"32,247"	"67,676"		"42,174"		"98,860"		"52,217"	"71,980"	"118,274"	"76,084"		"95,140"	"59,147"	"94,456"	"116,526"	
663	lysylthreonine	Peptide	Dipeptide	42066	LC/MS Polar	100003558	3955	246.14593	97791-84-9	16049576	13177972			"143,910"	"31,796"	"257,564"	"191,355"	"227,602"	"194,691"	"102,715"	"117,156"	"268,178"	"120,331"	"77,958"	"111,715"	"176,889"	"155,295"	"107,594"	"292,468"	"118,618"	"227,469"	"223,911"	"75,759"
666	lysylvaline	Peptide	Dipeptide	42064	LC/MS Pos Early	100003559	3207	246.18122	20556-11-0	140709	124103		HMDB28964	"1,042,559"	"623,884"	"977,756"	"1,309,416"	"1,176,478"	"546,625"	"521,291"	"1,313,943"	"1,040,519"	"680,505"	"451,163"	"750,997"	"1,097,817"	"1,188,925"	"662,208"	"1,602,260"	"1,093,690"	"1,689,769"	"1,499,795"	"626,420"
1079	malate	Energy	TCA Cycle	1303	LC/MS Neg	409	615.6	133.01425	6915-15-7	525	510	C00149	HMDB00156	"325,077,728"	"210,949,792"	"290,898,144"	"327,702,272"	"292,978,848"	"194,926,400"	"292,549,760"	"274,947,744"	"382,433,760"	"356,253,440"	"295,776,544"	"306,155,200"	"310,362,048"	"322,216,704"	"233,741,408"	"339,113,632"	"278,647,936"	"327,354,752"	"341,133,120"	"245,645,568"
1262	maleate	Lipid	"Fatty Acid, Dicarboxylate"	20676	LC/MS Polar	100000707	2510	115.00368	110-16-7	444266	392248	C01384	HMDB00176	"656,170"	"257,271"	"539,940"	"546,426"	"744,841"	"268,500"	"545,994"	"448,734"	"800,503"	"875,977"	"565,475"	"635,867"	"534,898"	"636,328"	"413,973"	"604,729"	"497,256"	"777,856"	"855,448"	"572,409"
991	mannitol/sorbitol	Carbohydrate	"Fructose, Mannose and Galactose Metabolism"	46142	LC/MS Polar	100001740	2320	181.07176		5780	440	C00794	HMDB00247	"1,223,121"	"964,009"	"1,435,570"	"1,886,410"	"1,565,802"	"1,320,043"	"1,443,590"	"1,469,143"	"1,949,112"	"1,853,366"	"1,883,565"	"1,843,070"	"1,117,033"	"1,128,183"	"896,465"	"1,805,778"	"1,745,239"	"1,840,173"	"1,678,191"	"1,553,572"
992	mannose	Carbohydrate	"Fructose, Mannose and Galactose Metabolism"	48153	LC/MS Polar	803	2200	225.06159	3458-28-4	18950	141983	C00159	HMDB00169	"4,381,179"	"1,607,303"	"4,553,041"	"7,651,450"	"7,633,469"	"2,781,298"	"6,184,797"	"5,180,703"	"6,815,510"	"5,065,265"	"5,005,307"	"4,974,415"	"4,901,985"	"5,101,830"	"2,212,622"	"5,930,796"	"5,856,790"	"6,224,828"	"5,320,661"	"3,168,101"
993	mannose-6-phosphate	Carbohydrate	"Fructose, Mannose and Galactose Metabolism"	1469	LC/MS Polar	294	4510	259.02244	70442-25-0;104872-94-8	439198	19969422	C00275	HMDB01078	"1,244,319"	"1,203,888"	"3,680,125"	"2,356,995"	"3,480,962"	"3,612,090"	"6,782,208"	"2,223,424"	"4,401,355"	"3,490,044"	"2,568,032"	"1,177,781"	"2,149,846"	"2,059,715"	"2,099,493"	"1,533,511"	"1,800,124"	"1,544,261"	"1,721,516"	"1,187,036"
1129	margarate (17:0)	Lipid	Long Chain Fatty Acid	1121	LC/MS Neg	891	5731	269.2486	506-12-7	10465	10033		HMDB02259	"22,196,284"	"6,821,061"	"7,238,790"	"7,497,844"	"13,308,354"	"7,129,195"	"7,696,314"	"17,651,900"	"6,973,834"	"6,074,081"	"7,595,774"	"16,001,558"	"8,160,393"	"18,024,864"	"13,315,366"	"6,459,280"	"9,885,431"	"6,608,325"	"14,746,191"	"4,647,522"
1388	margaroylcarnitine*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57512	LC/MS Pos Late	100004054	1424	414.35779	106182-29-0		35015987		HMDB06210	"82,409"		"183,303"	"143,668"					"178,763"	"305,711"	"174,168"	"106,152"		"60,282"	"186,825"	"164,560"	"140,835"	"286,576"	"177,163"	"304,118"
1183	mead acid (20:3n9)	Lipid	Polyunsaturated Fatty Acid (n3 and n6)	35174	LC/MS Neg	100001472	5650	305.2486	20590-32-3	5312531	4471956		HMDB10378	"12,716,214"	"2,423,098"	"4,730,031"	"4,973,080"	"8,305,427"	"3,604,877"	"4,245,830"	"12,303,989"	"3,347,261"	"2,713,870"	"2,862,610"	"10,521,828"	"4,870,272"	"9,926,547"	"7,902,981"	"3,616,424"	"5,398,815"	"3,610,208"	"9,711,701"	"1,909,888"
310	methionine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	1302	LC/MS Pos Early	415	2526	150.05833	63-68-3	6137	5907	C00073	HMDB00696	"1,279,170,688"	"904,105,216"	"1,201,912,192"	"1,187,687,552"	"1,114,702,848"	"983,692,288"	"865,844,480"	"1,136,068,736"	"1,008,468,160"	"956,526,848"	"653,469,504"	"775,185,024"	"777,700,544"	"863,138,496"	"793,435,520"	"1,111,404,288"	"942,317,888"	"1,047,178,752"	"1,143,287,296"	"887,136,000"
315	methionine sulfoxide	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	18374	LC/MS Pos Early	100000039	1272	166.05325	3226-65-1	158980	139840	C02989	HMDB02005	"18,141,334"	"12,089,218"	"17,647,868"	"16,942,806"	"16,802,560"	"13,246,765"	"14,800,563"	"16,809,692"	"18,391,242"	"18,939,008"	"14,317,529"	"14,637,313"	"16,607,939"	"17,836,244"	"13,808,833"	"20,085,888"	"17,672,948"	"19,576,776"	"20,035,556"	"16,819,896"
669	methionylasparagine	Peptide	Dipeptide	40686	LC/MS Pos Early	100003653	2315	264.10126	36261-61-7	333467	295490			"79,198"	"78,910"				"217,268"	"314,537"		"112,491"	"267,186"	"296,456"	"203,281"	"163,983"	"229,182"	"125,204"	"174,992"	"113,870"		"68,891"	
672	methionylglutamine	Peptide	Dipeptide	40690	LC/MS Pos Early	100003655	2411	278.11691	36261-62-8		16044758			"126,040"		"115,915"	"295,031"	"122,578"	"102,887"	"92,262"	"183,689"	"256,568"	"154,304"			"138,864"	"278,161"	"171,000"	"331,511"	"178,660"	"301,756"	"346,639"	
673	methionylglycine	Peptide	Dipeptide	40717	LC/MS Pos Early	100003657	2541	207.07979	14486-03-4	259185	227490			"454,119"	"174,439"	"461,475"	"668,581"	"511,121"	"277,173"	"368,770"	"473,327"	"629,459"	"458,471"	"329,838"	"396,355"	"824,014"	"789,364"	"378,598"	"897,336"	"636,451"	"894,103"	"914,698"	"151,228"
681	methionylproline	Peptide	Dipeptide	41385	LC/MS Pos Early	100003662	2825	247.11109	142792-34-9	3472451	2713800			"1,886,844"	"1,454,212"	"2,121,078"	"2,343,304"	"3,035,915"	"1,967,682"	"1,356,673"	"2,934,916"	"2,553,320"	"2,204,358"	"1,742,643"	"1,992,533"	"2,501,661"	"2,375,703"	"1,258,804"	"3,690,373"	"1,991,626"	"3,057,879"	"3,436,589"	"1,348,277"
3938	methyl glucopyranoside (alpha + beta)	Xenobiotics	Food Component/Plant	46144	LC/MS Neg	100005864	1070	193.0718						"92,752"	"110,662"	"129,469"	"171,734"	"158,997"		"141,186"	"125,114"	"225,839"	"116,960"	"99,005"	"77,790"	"176,968"	"154,557"	"151,194"	"113,265"		"133,220"	"170,494"	"71,325"
1331	methylmalonate (MMA)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	1496	LC/MS Polar	418	3078.4	117.01933	516-05-2	487	473	C02170	HMDB00202	"2,022,254"	"1,929,719"	"1,895,193"	"2,174,281"	"1,570,000"	"1,309,492"	"1,117,495"	"1,276,567"	"2,187,728"	"1,239,244"	"1,108,876"	"1,264,817"	"558,260"	"902,129"	"929,145"	"1,135,297"	"1,727,133"	"1,013,513"	"1,135,199"	"1,004,293"
3370	methylphosphate	Nucleotide	Purine and Pyrimidine Metabolism	37070	LC/MS Pos Early	100001805	544	112.99983	7023-27-0	13130	12578		HMDB61711	"1,856,993"	"951,500"	"1,445,637"	"1,664,734"	"1,906,656"	"1,490,176"	"1,980,410"	"2,034,539"	"2,030,349"	"1,894,315"	"1,445,599"	"1,856,780"	"2,030,836"	"2,123,769"	"1,614,161"	"1,982,548"	"1,580,671"	"2,034,502"	"2,146,006"	"1,422,423"
292	methylsuccinate	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	15745	LC/MS Polar	2051	2800	131.03498	498-21-5	10349	9922		HMDB01844	"1,524,936"	"1,050,872"	"1,471,538"	"1,772,332"	"1,695,671"	"1,374,884"	"1,450,841"	"1,726,197"	"1,836,164"	"1,504,282"	"878,659"	"903,309"	"1,666,043"	"1,153,187"	"1,202,543"	"1,102,640"	"1,016,655"	"1,248,198"	"1,815,504"	"933,279"
1589	myo-inositol	Lipid	Inositol Metabolism	1124	LC/MS Polar	363	3506.3	225.06159	87-89-8	892	10239179	C00137	HMDB00211	"59,248,204"	"62,277,564"	"75,655,128"	"66,779,440"	"64,525,488"	"86,603,280"	"89,481,712"	"71,821,640"	"76,125,928"	"84,720,880"	"66,464,408"	"61,309,448"	"64,807,908"	"59,167,136"	"69,176,704"	"63,438,184"	"58,648,468"	"64,902,304"	"69,049,832"	"68,832,616"
1121	myristate (14:0)	Lipid	Long Chain Fatty Acid	1365	LC/MS Neg	519	5440	227.20165	544-63-8	11005	10539	C06424	HMDB00806	"170,785,600"	"28,003,000"	"56,372,256"	"47,284,176"	"80,381,584"	"37,500,596"	"44,793,664"	"112,620,808"	"34,596,604"	"32,166,362"	"41,066,076"	"91,885,736"	"65,712,652"	"108,034,912"	"66,952,804"	"51,360,784"	"58,942,288"	"52,235,216"	"100,162,496"	"31,231,020"
1122	myristoleate (14:1n5)	Lipid	Long Chain Fatty Acid	32418	LC/MS Neg	100001198	5346.9	225.186	544-64-9	5281119	4444564	C08322	HMDB02000	"5,814,092"	"1,923,741"	"3,408,412"	"3,109,446"	"6,773,307"	"2,964,842"	"4,229,739"	"4,354,065"	"4,240,627"	"2,666,209"	"4,637,936"	"6,155,894"	"9,864,482"	"9,839,694"	"4,915,105"	"7,886,973"	"6,834,444"	"8,099,521"	"9,790,733"	"4,205,966"
1366	myristoleoylcarnitine (C14:1)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	48182	LC/MS Pos Late	100006051	1316	370.29471	889848-55-9	90659872	34999520			"62,077"		"437,432"	"271,569"	"791,945"	"183,852"	"687,877"	"936,599"	"689,885"	"662,960"	"848,952"	"568,422"	"678,121"	"838,271"	"1,018,516"	"730,935"	"716,468"	"381,408"	"333,136"	"321,397"
2282	myristoyl dihydrosphingomyelin (d18:0/14:0)*	Lipid	Sphingolipid Metabolism	57365	LC/MS Pos Late	100009038	2060	677.5592			24846886		HMDB12085	"3,274,941"	"2,100,660"	"3,920,192"	"4,930,549"	"4,036,971"	"2,487,580"	"3,429,022"	"4,669,287"	"3,776,232"	"4,544,515"	"3,408,131"	"3,513,593"	"5,219,485"	"5,428,846"	"3,150,838"	"5,850,687"	"5,110,744"	"5,721,593"	"5,089,019"	"2,157,555"
1357	myristoylcarnitine (C14)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	33952	LC/MS Pos Late	100001270	1350	372.31084	18822-89-4	6426854	4932274		HMDB05066	"569,087"	"241,000"	"1,067,003"	"550,387"	"504,680"	"230,204"	"375,370"	"557,148"	"755,496"	"853,762"	"735,149"	"488,167"	"604,011"	"576,760"	"708,956"	"828,729"	"673,423"	"787,258"	"520,302"	"609,162"
390	N('1)-acetylspermidine	Amino Acid	Polyamine Metabolism	57689	LC/MS Pos Early	187	3075	188.17574	14278-49-0	496	482	C00612	HMDB01276	"84,856,080"	"42,488,376"	"57,484,328"	"82,223,584"	"71,317,288"	"48,499,120"	"57,622,740"	"70,739,808"	"67,985,424"	"64,869,504"	"43,157,364"	"57,742,224"	"74,244,208"	"74,478,624"	"49,751,640"	"90,839,512"	"62,097,316"	"92,111,616"	"86,892,192"	"57,610,856"
394	N(1)-acetylspermine	Amino Acid	Polyamine Metabolism	32360	LC/MS Pos Early	1200	3356	245.23359	77928-70-2	916	892	C02567	HMDB01186	"275,579"			"156,777"	"98,343"			"112,781"	"102,316"	"113,648"		"125,222"	"178,850"	"280,238"	"114,397"	"239,790"	"174,617"	"366,938"	"480,288"	
2366	N-(2-hydroxypalmitoyl)-sphingosine (d18:1/16:0(2OH))	Lipid	Sphingolipid Metabolism	57697	LC/MS Pos Late	100015642	2692	554.51429	34839-02-6		30786072			"1,706,914"	"1,057,412"	"1,834,406"	"2,202,360"	"983,086"	"1,019,765"	"893,191"	"1,013,097"	"523,568"	"836,528"	"745,402"	"709,915"	"723,528"	"935,325"	"1,055,603"	"1,067,628"	"1,169,598"	"939,288"	"1,032,841"	"932,465"
50	N-acetyl-aspartyl-glutamate (NAAG)	Amino Acid	Glutamate Metabolism	35665	LC/MS Pos Early	100001612	1035	305.09795	3106-85-2	5255	5065	C12270	HMDB01067	"142,648"	"80,861"		"157,287"			"109,659"	"138,424"	"257,350"	"156,702"	"195,371"	"330,720"			"224,205"	"123,742"	"182,865"	"314,411"	"281,353"	
3337	N-acetyl-beta-alanine	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	37432	LC/MS Polar	100002102	1750	130.05096	3025-95-4	76406	68881	C01073		"165,860"	"186,038"	"306,631"	"159,148"	"179,279"		"251,131"	"272,128"	"184,506"	"159,903"				"132,425"	"112,067"	"192,128"	"269,505"	"229,416"		
30	N-acetylalanine	Amino Acid	Alanine and Aspartate Metabolism	1585	LC/MS Polar	1110	1564.8	130.05096	97-69-8	88064	79449	C02847	HMDB00766	"10,697,752"	"7,190,413"	"12,133,207"	"11,456,137"	"12,663,075"	"12,868,070"	"9,091,174"	"10,213,793"	"14,276,926"	"8,876,050"	"5,938,915"	"7,066,536"	"7,012,915"	"8,198,251"	"8,357,920"	"13,024,621"	"11,683,103"	"12,531,503"	"12,714,974"	"12,100,830"
361	N-acetylarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	33953	LC/MS Pos Early	100001266	2245	217.12952	155-84-0	67427	60752	C02562	HMDB04620	"864,549"		"1,385,040"	"1,034,258"	"1,439,457"	"1,183,828"	"2,078,819"	"1,355,936"	"1,955,556"	"2,308,152"	"1,426,106"	"1,182,072"	"1,746,974"	"1,750,779"	"1,060,330"	"1,980,149"	"1,436,641"	"1,626,665"	"1,859,758"	"1,065,723"
39	N-acetylasparagine	Amino Acid	Alanine and Aspartate Metabolism	33942	LC/MS Pos Early	100001257	785	175.07134	4033-40-3	99715	90090		HMDB06028	"729,549"	"1,165,692"	"1,798,199"	"1,107,746"	"2,009,150"	"2,128,867"	"2,627,044"	"1,762,888"	"2,523,321"	"2,517,923"	"1,437,801"	"1,411,871"	"2,194,386"	"2,043,589"	"1,903,647"	"2,576,354"	"2,142,339"	"2,476,340"	"2,304,237"	"1,505,669"
35	N-acetylaspartate (NAA)	Amino Acid	Alanine and Aspartate Metabolism	22185	LC/MS Polar	100000787	3143	174.04079	997-55-7;997-55-7	65065	58576	C01042	HMDB00812	"427,599"	"555,513"	"697,928"	"698,763"	"7,092,224"	"883,273"	"450,105"	"644,590"	"731,840"	"665,051"	"512,729"	"466,135"	"575,165"	"550,848"	"582,534"	"927,381"	"695,680"	"834,556"	"765,524"	"865,776"
328	N-acetylcysteine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	1586	LC/MS Pos Early	1107	1416	164.0376	616-91-1	12035	11540	C06809	HMDB01890	"1,332,716"	"974,869"	"1,446,181"	"1,676,880"	"1,275,848"	"1,055,824"	"1,639,909"	"1,465,876"	"1,642,844"	"1,381,474"	"2,018,043"	"1,769,183"	"1,918,399"	"1,650,072"	"1,360,229"	"1,403,550"	"1,328,563"	"1,284,869"	"1,363,642"	"1,110,818"
1042	N-acetylglucosamine 6-phosphate	Carbohydrate	Aminosugar Metabolism	15107	LC/MS Polar	1213	4114	300.04899	102029-88-9	439219	8216065	C00357	HMDB02817	"501,167"	"535,853"	"626,637"	"630,977"	"598,500"	"422,330"	"510,475"	"582,313"	"695,530"	"530,462"	"598,568"	"451,957"	"522,023"	"472,889"	"468,415"	"480,581"	"838,172"	"726,572"	"862,393"	"744,912"
1063	N-acetylglucosamine/N-acetylgalactosamine	Carbohydrate	Aminosugar Metabolism	46539	LC/MS Pos Early	100006435	715	222.0972		24139			HMDB00215	"4,925,280"	"7,184,665"	"7,864,038"	"5,121,521"	"6,310,633"	"6,923,383"	"8,734,328"	"5,221,554"	"5,089,146"	"5,751,104"	"6,254,845"	"5,290,630"	"5,536,259"	"5,069,425"	"7,600,767"	"5,070,175"	"9,038,384"	"7,659,226"	"7,602,728"	"8,144,956"
1060	N-acetylglucosaminylasparagine	Carbohydrate	Aminosugar Metabolism	48149	LC/MS Pos Early	1215	1212	336.14015	2776-93-4	123826	21403014	C04540	HMDB00489	"7,255,650"	"4,172,662"	"6,942,451"	"7,773,366"	"8,084,842"	"5,075,889"	"7,434,442"	"7,341,930"	"8,744,807"	"7,049,726"	"6,134,239"	"6,759,531"	"8,484,758"	"8,825,078"	"5,532,050"	"8,725,055"	"6,640,804"	"7,820,066"	"6,941,850"	"4,452,082"
42	N-acetylglutamate	Amino Acid	Glutamate Metabolism	15720	LC/MS Pos Early	100000282	1050	190.071	03/08/5817	70914	1266066	C00624	HMDB01138	"1,484,968"	"1,430,284"	"1,725,792"	"1,379,704"	"1,867,461"	"1,680,394"	"1,471,357"	"1,361,695"	"2,409,587"	"2,404,351"	"1,613,491"	"1,370,037"	"2,012,044"	"2,010,651"	"1,859,972"	"1,726,396"	"1,827,111"	"1,824,210"	"1,707,299"	"1,597,783"
43	N-acetylglutamine	Amino Acid	Glutamate Metabolism	33943	LC/MS Pos Early	100001253	845	189.08699	2490-97-3	182230	158492	C02716	HMDB06029	"3,755,327"	"2,715,418"	"6,067,526"	"4,090,521"	"10,938,746"	"6,244,809"	"11,766,265"	"8,793,857"	"12,248,917"	"10,810,127"	"5,897,335"	"5,635,537"	"12,747,078"	"12,743,629"	"6,525,940"	"14,823,916"	"11,749,063"	"13,018,852"	"12,307,913"	"5,297,596"
2	N-acetylglycine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	27710	LC/MS Pos Early	100001006	826	118.04987	543-24-8	10972	10507		HMDB00532	"899,088"	"374,597"	"827,690"	"596,734"	"1,149,437"	"629,932"	"1,257,477"	"530,476"	"1,399,369"	"1,064,353"	"851,291"	"887,483"	"1,275,651"	"1,179,180"	"638,418"	"1,022,195"	"877,345"	"985,183"	"698,491"	"631,211"
65	N-acetylhistidine	Amino Acid	Histidine Metabolism	33946	LC/MS Pos Early	100001293	2065	198.08732	39145-52-3	75619	68142	C02997	HMDB32055	"127,616"	"137,515"	"311,564"	"152,248"	"198,470"	"263,833"	"534,291"	"147,696"	"275,712"	"405,754"	"327,435"	"130,907"	"189,384"	"220,186"	"206,719"	"209,516"	"297,745"	"208,499"	"187,587"	"294,909"
210	N-acetylkynurenine (2)	Amino Acid	Tryptophan Metabolism	48757	LC/MS Pos Early	100006378	2364	251.10264						"366,387"		"164,938"	"237,404"	"1,021,472"	"61,945"	"414,182"	"798,710"	"1,345,974"	"741,373"	"559,643"	"1,054,119"	"1,293,612"	"1,287,847"	"120,152"	"1,201,232"	"428,355"	"869,755"	"1,211,164"	"294,057"
245	N-acetylleucine	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	1587	LC/MS Neg	1082	2400	172.09791	1188-21-2	70912	64075	C02710	HMDB11756	"70,700"		"68,405"	"83,032"	"74,976"	"61,462"	"84,864"	"120,677"	"85,556"	"86,853"	"45,339"	"75,579"	"88,555"	"114,522"		"99,504"	"98,265"	"125,057"	"130,930"	"62,695"
311	N-acetylmethionine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	1589	LC/MS Polar	1083	1155	190.05434	65-82-7	448580	395338	C02712	HMDB11745	"11,032,942"	"10,817,431"	"11,293,843"	"15,412,468"	"11,174,900"	"14,850,230"	"6,642,921"	"12,935,803"	"16,139,184"	"18,094,820"	"10,834,434"	"11,728,498"	"9,092,488"	"8,781,439"	"11,191,494"	"12,874,556"	"10,002,193"	"13,202,449"	"10,634,944"	"12,888,912"
316	N-acetylmethionine sulfoxide	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	45428	LC/MS Pos Early	100005463	880	208.06381	108646-71-5	193368	167798			"2,663,784"	"2,336,930"	"3,065,461"	"2,697,827"	"2,854,103"	"3,293,046"	"3,132,917"	"2,526,821"	"3,481,047"	"3,490,750"	"2,087,189"	"2,292,251"	"2,990,024"	"3,190,525"	"3,459,747"	"3,573,340"	"2,849,905"	"3,267,785"	"3,185,266"	"3,096,646"
1049	N-acetylneuraminate	Carbohydrate	Aminosugar Metabolism	32377	LC/MS Pos Early	1162	660	310.11326	131-48-6	439197	10292217	C00270	HMDB00230	"9,702,983"	"8,204,445"	"11,076,127"	"9,693,206"	"11,403,054"	"10,385,886"	"13,737,291"	"11,016,165"	"11,655,710"	"11,396,197"	"12,490,317"	"10,755,938"	"10,397,494"	"10,072,312"	"9,428,053"	"9,241,288"	"10,317,678"	"10,054,759"	"9,681,362"	"9,304,438"
110	N-acetylphenylalanine	Amino Acid	Phenylalanine Metabolism	33950	LC/MS Neg	100001256	2597	206.08226	2018-61-3	74839	67404	C03519	HMDB00512	"56,069"	"44,974"	"60,236"	"84,932"	"100,578"	"39,914"	"116,171"	"118,150"	"193,730"	"97,200"	"64,348"	"71,806"	"113,124"	"178,608"	"26,683"	"101,079"	"184,942"	"164,965"	"146,351"	"60,065"
397	N-acetylputrescine	Amino Acid	Polyamine Metabolism	37496	LC/MS Pos Early	192	2230	131.11789	18233-70-0	122356	109095	C02714	HMDB02064	"2,918,122"	"1,422,598"	"3,540,587"	"3,627,237"	"5,246,996"	"2,068,802"	"3,705,347"	"5,195,350"	"6,779,321"	"4,445,593"	"3,437,206"	"4,358,660"	"5,452,354"	"5,184,690"	"2,254,465"	"5,062,372"	"2,563,488"	"4,562,316"	"4,167,206"	"1,927,825"
10	N-acetylserine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	37076	LC/MS Pos Early	100001851	811	148.06044	97-14-3	65249	58744		HMDB02931	"16,980,514"	"15,253,986"	"19,263,392"	"18,680,714"	"23,214,628"	"21,276,944"	"21,258,044"	"19,318,520"	"20,187,804"	"18,150,292"	"13,981,013"	"16,313,551"	"16,985,184"	"17,601,640"	"17,080,776"	"18,147,106"	"18,577,220"	"21,515,596"	"22,640,668"	"16,024,716"
340	N-acetyltaurine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	48187	LC/MS Polar	100005466	1249	166.01795		159864	140553			"182,404"	"80,519"	"95,028"	"165,356"		"55,386"			"88,327"	"120,807"	"38,611"		"26,774"			"67,155"			"16,771"	"110,376"
17	N-acetylthreonine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	33939	LC/MS Neg	100001274	821.6	160.06153	17093-74-2	152204	3841173			"3,084,901"	"2,982,024"	"2,801,904"	"3,978,952"	"3,540,616"	"2,922,563"	"3,366,983"	"2,796,895"	"4,550,138"	"3,246,932"	"2,397,500"	"2,053,031"	"2,964,685"	"3,298,096"	"2,505,417"	"3,321,086"	"3,598,361"	"3,340,602"	"3,392,699"	"2,018,826"
126	N-acetyltyrosine	Amino Acid	Tyrosine Metabolism	32390	LC/MS Neg	100001104	1680	222.07718	537-55-3	68310	61606		HMDB00866	"53,124"	"52,031"	"65,805"	"64,018"	"109,471"		"174,430"	"140,674"	"206,566"	"97,723"	"88,160"	"68,447"	"137,178"	"308,326"		"105,796"	"232,785"	"206,584"	"185,964"	"70,022"
2274	N-behenoyl-sphingadienine (d18:2/22:0)*	Lipid	Sphingolipid Metabolism	57372	LC/MS Pos Late	100015624	3911	620.59763						"5,735,262"	"4,142,611"	"5,917,220"	"7,371,388"	"6,288,762"	"4,934,324"	"5,351,220"	"7,279,042"	"5,973,409"	"6,576,193"	"6,291,881"	"6,575,518"	"6,964,217"	"6,465,536"	"4,904,387"	"6,415,334"	"6,506,654"	"7,044,053"	"5,913,040"	"3,720,851"
312	N-formylmethionine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	2829	LC/MS Neg	194	1543.8	176.03869	4289-98-9	439750	388809	C03145	HMDB01015	"141,168"	"229,428"	"184,324"	"200,796"	"170,924"	"214,367"	"181,235"	"153,963"	"267,276"	"140,743"	"100,075"	"101,706"	"183,954"	"210,949"	"197,144"	"166,380"	"263,202"	"181,455"	"184,666"	"100,329"
54	N-methyl-GABA	Amino Acid	Glutamate Metabolism	39577	LC/MS Pos Early	100003152	2109	118.08626	1119-48-8	70703	63869	C15987		"29,266,532"	"27,823,280"	"40,879,324"	"32,543,964"	"37,935,672"	"53,895,848"	"45,032,592"	"34,763,976"	"43,198,244"	"47,373,328"	"25,906,612"	"22,882,580"	"35,897,916"	"39,866,600"	"43,796,036"	"41,244,768"	"25,451,828"	"27,907,228"	"27,780,572"	"30,471,748"
375	N-monomethylarginine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	43586	LC/MS Pos Early	100004488	2845	189.13461	53308-83-1	132862	117259	C03884	HMDB29416	"61,991,348"	"47,296,040"	"59,768,632"	"66,804,232"	"62,576,120"	"48,041,024"	"57,632,776"	"62,594,340"	"62,604,588"	"54,921,560"	"42,913,456"	"48,797,504"	"50,337,752"	"54,939,728"	"46,343,692"	"60,938,168"	"52,985,748"	"61,006,944"	"62,434,936"	"43,682,976"
2315	N-nervonoyl-sphingadiene (d18:2/24:1)*	Lipid	Sphingolipid Metabolism	57442	LC/MS Pos Late	100015699	3858	646.61318						"24,901,850"	"17,271,922"	"28,121,112"	"32,882,970"	"26,393,832"	"19,544,914"	"24,891,636"	"28,091,588"	"26,083,838"	"28,795,860"	"25,558,372"	"26,393,098"	"29,498,134"	"28,913,430"	"20,922,408"	"29,333,484"	"31,547,196"	"32,558,032"	"26,966,628"	"16,401,276"
1571	N-oleoyltaurine	Lipid	Endocannabinoid	39732	LC/MS Neg	100003119	5610	388.2527	52514-04-2	6437033	4941625			"459,878"	"98,092"	"167,623"	"275,017"	"711,696"	"80,339"	"283,103"	"1,371,664"	"318,137"	"219,210"	"236,720"	"559,700"	"319,153"	"725,919"	"181,325"	"310,337"	"287,746"	"315,504"	"403,871"	"109,994"
2325	N-palmitoyl-heptadecasphingosine (d17:1/16:0)*	Lipid	Sphingolipid Metabolism	57430	LC/MS Pos Late	100015731	2645	524.50374						"2,681,469"	"2,217,321"	"3,407,759"	"3,830,566"	"2,788,217"	"2,996,543"	"2,762,819"	"3,000,343"	"2,118,761"	"3,414,557"	"2,553,549"	"2,752,870"	"3,198,013"	"3,431,754"	"2,858,465"	"3,303,367"	"3,365,443"	"3,275,220"	"3,194,827"	"2,422,862"
2273	N-palmitoyl-sphingadienine (d18:2/16:0)*	Lipid	Sphingolipid Metabolism	57416	LC/MS Pos Late	100015609	2490	536.50372						"5,156,153"	"5,718,884"	"5,596,188"	"6,671,594"	"4,575,191"	"4,689,795"	"3,391,414"	"5,479,303"	"4,183,037"	"3,277,081"	"4,895,389"	"5,519,819"	"4,130,357"	"5,269,398"	"5,588,086"	"4,927,292"	"4,521,992"	"5,593,746"	"5,094,378"	"5,449,393"
2272	N-palmitoyl-sphinganine (d18:0/16:0)	Lipid	Sphingolipid Metabolism	52604	LC/MS Pos Late	100009028	3090	540.53503	5966-29-0	5283572	4446685		HMDB11760	"2,162,847"	"1,532,235"	"3,287,767"	"3,560,771"	"2,565,042"	"1,769,823"	"2,249,193"	"2,865,392"	"2,489,451"	"3,261,771"	"2,486,136"	"2,387,493"	"3,719,236"	"3,479,876"	"2,191,261"	"4,034,346"	"3,535,261"	"3,613,358"	"3,072,916"	"1,894,157"
2369	N-palmitoyl-sphingosine (d18:1/16:0)	Lipid	Ceramides	44877	LC/MS Pos Late	1518	2893	538.51937	24696-26-2	5283564	4446677		HMDB04949	"39,688,388"	"32,927,310"	"49,872,240"	"55,873,520"	"46,883,492"	"38,156,104"	"42,889,668"	"49,419,088"	"37,691,404"	"52,306,876"	"42,178,540"	"43,148,608"	"52,271,624"	"53,889,748"	"40,525,396"	"56,827,324"	"57,445,824"	"59,819,448"	"51,831,876"	"37,039,532"
2372	N-stearoyl-sphingadienine (d18:2/18:0)*	Lipid	Ceramides	57417	LC/MS Pos Late	100015632	2846	564.53503						"1,903,732"	"1,804,088"	"2,748,316"	"3,075,125"	"2,777,253"	"2,240,016"	"2,416,794"	"3,068,920"	"2,314,125"	"3,127,626"	"2,531,330"	"2,582,502"	"3,015,823"	"2,992,885"	"2,281,140"	"3,239,935"	"3,286,110"	"3,718,405"	"3,029,061"	"2,197,973"
2326	N-stearoyl-sphinganine (d18:0/18:0)*	Lipid	Sphingolipid Metabolism	1759	LC/MS Pos Late	922	3526	568.56632	2304-80-5	5283573	4446686			"101,833"		"143,515"	"125,237"				"110,470"	"80,726"	"144,126"	"129,434"		"137,074"			"94,969"	"136,248"	"143,415"	"71,431"	
2371	N-stearoyl-sphingosine (d18:1/18:0)*	Lipid	Ceramides	54979	LC/MS Pos Late	1547	3392	566.55067	104404-17-3	5283565	4446678		HMDB04950	"2,832,030"	"1,985,199"	"3,005,854"	"3,567,501"	"2,973,708"	"2,367,224"	"2,578,406"	"3,128,157"	"2,683,398"	"3,145,222"	"2,523,695"	"2,759,810"	"3,066,784"	"3,114,784"	"2,389,960"	"3,271,500"	"3,665,378"	"3,791,790"	"3,208,427"	"2,443,938"
108	N-trimethyl 5-aminovalerate	Amino Acid	Lysine Metabolism	57687	LC/MS Pos Early	100015962	2186	160.13321			34236878			"5,121,880"	"3,186,341"	"5,598,388"	"5,806,598"	"5,163,634"	"5,386,658"	"5,308,141"	"5,380,536"	"6,963,194"	"6,133,153"	"4,526,545"	"4,724,381"	"4,404,962"	"5,859,540"	"5,276,639"	"6,832,527"	"3,862,799"	"4,668,996"	"4,979,047"	"3,431,124"
3396	N1-Methyl-2-pyridone-5-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	40469	LC/MS Pos Early	100001468	1250	153.06586	701-44-0	69698	62899	C05842	HMDB04193	"7,160,653"	"1,683,404"	"4,550,767"	"5,612,190"	"3,655,502"	"1,216,573"	"3,356,562"	"3,069,594"	"4,109,267"	"3,369,187"	"4,332,677"	"3,735,457"	"5,122,688"	"5,289,896"	"1,890,336"	"4,651,849"	"2,366,637"	"3,776,791"	"2,848,408"	"1,572,579"
3397	N1-Methyl-4-pyridone-3-carboxamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	57584	LC/MS Pos Early	100001469	1260	153.06586	769-49-3	440810	389671	C05843	HMDB04194	"2,799,626"	"559,937"	"1,869,035"	"1,969,058"	"1,252,317"	"221,418"	"1,477,988"	"1,189,745"	"1,229,404"	"1,212,551"	"1,519,031"	"1,271,530"	"1,911,775"	"1,671,838"	"511,038"	"1,546,758"	"1,037,282"	"1,016,518"	"788,823"	"357,693"
3257	N1-methyladenosine	Nucleotide	"Purine Metabolism, Adenine containing"	15650	LC/MS Pos Early	1242	2120	282.11969	15763-06-1	27476	4573813	C02494	HMDB03331	"294,322"		"515,336"	"247,846"	"610,406"		"539,632"	"509,764"	"446,366"	"739,856"	"555,587"	"426,154"		"438,451"	"477,973"	"461,228"	"389,575"	"430,638"	"463,301"	"349,995"
85	N2-acetyllysine	Amino Acid	Lysine Metabolism	36751	LC/MS Polar	100001721	3372.6	187.10881	1946-82-3	92907	83869	C12989	HMDB00446			"33,908"		"50,283"			"45,980"	"122,617"	"47,906"		"32,626"	"73,558"	"62,585"		"119,153"	"78,294"	"82,113"	"118,467"	
91	"N6,N6,N6-trimethyllysine"	Amino Acid	Lysine Metabolism	1498	LC/MS Pos Early	189	2825	189.15976	23284-33-5	440120	140379	C03793	HMDB01325	"151,351,040"	"91,822,032"	"136,418,592"	"158,946,752"	"175,404,048"	"109,428,072"	"137,634,704"	"165,619,872"	"182,280,480"	"149,567,664"	"106,844,992"	"129,546,744"	"143,201,536"	"153,737,232"	"109,029,752"	"182,873,296"	"140,603,152"	"173,319,168"	"174,723,792"	"105,405,712"
86	N6-acetyllysine	Amino Acid	Lysine Metabolism	36752	LC/MS Polar	100001734	2612.6	187.10881	692-04-6	92832	83801	C02727	HMDB00206	"2,317,711"	"1,052,230"	"1,562,384"	"2,905,716"	"2,439,905"	"1,708,142"	"1,057,989"	"2,388,198"	"3,036,276"	"2,230,260"	"1,235,404"	"1,644,115"	"1,378,986"	"1,627,965"	"1,085,973"	"2,385,579"	"2,082,129"	"2,832,412"	"2,277,765"	"1,337,207"
3276	N6-succinyladenosine	Nucleotide	"Purine Metabolism, Adenine containing"	48130	LC/MS Neg	100001664	940	382.10043	4542-23-8	165243			HMDB00912	"212,129"	"230,381"	"152,473"	"269,050"	"184,863"	"132,324"	"177,658"	"142,993"	"287,326"	"149,267"	"139,022"	"149,574"	"183,780"	"249,738"	"118,974"	"152,387"	"281,127"	"251,997"	"276,664"	"168,415"
1389	nervonoylcarnitine (C24:1)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	57531	LC/MS Pos Late	100015846	1602	510.45168							"131,542"		"122,381"	"119,708"	"180,859"	"207,460"	"205,915"	"149,816"	"209,893"	"142,105"		"241,345"	"204,352"	"250,328"	"253,457"	"267,170"	"252,952"	"228,648"	"194,151"
3377	nicotinamide	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	594	LC/MS Pos Early	432	1942	123.05529	98-92-0	936	911	C00153	HMDB01406	"80,715,280"	"51,732,368"	"63,000,024"	"74,371,960"	"76,476,648"	"52,312,424"	"62,351,928"	"59,288,696"	"62,198,096"	"43,084,792"	"76,185,896"	"99,244,760"	"73,556,768"	"71,720,712"	"36,705,592"	"63,545,736"	"48,176,480"	"60,663,148"	"61,635,400"	"33,724,480"
3381	nicotinamide adenine dinucleotide (NAD+)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	5278	LC/MS Neg	1310	1434	662.10184	53-84-9	5893	5681	C00003	HMDB00902	"19,758,814"	"10,931,493"	"17,259,476"	"17,251,534"	"21,644,464"	"13,933,152"	"20,343,548"	"21,286,046"	"19,931,538"	"18,369,432"	"17,175,718"	"16,059,744"	"22,164,676"	"20,185,364"	"17,155,244"	"21,241,000"	"18,836,296"	"22,842,992"	"20,438,292"	"12,585,079"
3382	nicotinamide adenine dinucleotide reduced (NADH)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	31475	LC/MS Neg	428	1540	664.1175	58-68-4;606-68-8	439153	388299	C00004	HMDB01487	"1,172,686"	"606,087"	"1,060,733"	"1,158,076"	"1,680,843"	"812,071"	"1,725,644"	"1,441,477"	"1,473,837"	"1,404,984"	"1,428,437"	"1,214,035"	"1,826,474"	"1,443,069"	"976,105"	"1,647,262"	"1,338,008"	"1,551,848"	"1,495,322"	"637,552"
3379	nicotinamide ribonucleotide (NMN)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	22152	LC/MS Pos Early	1312	766	335.06388	1094-61-7	14180	13553	C00455	HMDB00229	"7,712,490"	"8,269,849"	"9,552,986"	"10,998,601"	"7,281,488"	"4,991,953"	"7,394,864"	"6,789,927"	"5,445,455"	"6,299,714"	"6,300,408"	"5,643,831"	"5,597,049"	"5,562,392"	"5,552,140"	"7,022,844"	"10,763,606"	"12,401,908"	"12,351,240"	"7,892,915"
3380	nicotinamide riboside	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	33013	LC/MS Pos Early	100001310	2040	255.09755	1341-23-7	439924		C03150	HMDB00855	"2,655,496"	"3,752,037"	"15,010,621"	"10,601,843"	"3,786,988"	"2,187,846"	"7,998,967"	"4,271,921"	"5,557,150"	"8,450,868"	"3,350,119"	"3,141,220"	"3,248,747"	"4,079,679"	"1,739,119"	"6,591,424"	"34,576,120"	"18,220,072"	"35,164,016"	"49,126,396"
3375	nicotinate ribonucleoside	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	33471	LC/MS Pos Early	100001316	1536	256.08157	2625-49-2	161234	141635	C05841	HMDB06809				"316,684"	"571,050"		"385,347"	"389,577"	"560,838"	"424,858"	"207,531"	"362,687"	"484,606"	"480,112"		"1,002,725"		"232,098"		
1141	nonadecanoate (19:0)	Lipid	Long Chain Fatty Acid	1356	LC/MS Neg	892	6068	297.2799	646-30-0	12591	12071	C16535	HMDB00772	"2,200,082"	"753,779"	"808,915"	"1,069,924"	"1,530,826"	"909,972"	"904,053"	"2,266,276"	"749,196"	"810,115"	"802,181"	"1,974,376"	"1,172,513"	"1,773,101"	"1,315,170"	"1,056,670"	"1,174,763"	"834,725"	"1,633,779"	"719,406"
3567	o-cresol sulfate	Xenobiotics	Benzoate Metabolism	36845	LC/MS Neg	100001806	2796	187.00705		11615528	9790277			"86,167"	"159,055"	"59,661"	"72,788"	"173,785"	"134,902"	"191,793"	"177,348"	"230,208"	"107,143"	"91,715"	"67,029"	"92,934"	"106,290"	"74,450"	"76,277"	"119,837"	"86,542"	"79,740"	"41,815"
3525	O-methylcatechol sulfate	Xenobiotics	Benzoate Metabolism	46111	LC/MS Neg	100004208	2344	203.00196		22473	21078		HMDB60013	"82,580"	"125,264"	"88,890"	"211,899"	"143,979"	"134,003"	"138,982"	"146,123"	"190,321"	"79,299"	"83,346"	"64,112"	"94,077"	"134,391"	"87,402"	"86,123"	"77,771"	"71,906"	"65,382"	"19,697"
166	O-methyltyrosine	Amino Acid	Tyrosine Metabolism	37451	LC/MS Pos Early	100002078	2790	196.09682	1080-06-4	76957	69406		HMDB14903	"789,995"	"494,838"	"631,603"	"884,562"	"983,032"	"725,487"	"672,310"	"867,852"	"1,111,834"	"800,728"	"930,223"	"1,215,905"	"1,270,431"	"1,134,122"	"818,423"	"1,044,322"	"959,176"	"1,119,522"	"1,150,847"	"954,460"
4466	O-sulfo-L-tyrosine	Xenobiotics	Chemical	45413	LC/MS Neg	100005384	990	260.02343		514186	448617			"56,997"	"41,329"		"20,692"	"39,389"			"32,508"					"35,026"	"56,670"			"67,911"	"43,960"		
1351	octanoylcarnitine (C8)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	33936	LC/MS Pos Late	100001247	950	288.21694	3671-77-0	123701	110274	C02838	HMDB00791	"154,994"	"74,060"	"380,329"	"351,736"	"276,218"	"80,887"	"185,113"	"526,549"	"413,847"	"607,158"	"631,346"	"471,287"	"365,653"	"400,570"	"610,189"	"517,850"	"348,751"	"313,048"	"114,982"	"171,993"
1134	oleate/vaccenate (18:1)	Lipid	Long Chain Fatty Acid	52285	LC/MS Neg	100008930	5655	281.2486						"3,204,322,304"	"613,120,000"	"1,214,588,416"	"1,441,497,984"	"2,953,913,600"	"720,223,232"	"1,386,388,608"	"4,107,049,728"	"1,230,894,080"	"898,246,912"	"1,354,759,296"	"3,413,264,640"	"2,117,567,616"	"3,502,554,112"	"1,654,341,248"	"1,818,807,680"	"2,241,670,912"	"1,813,999,616"	"3,222,982,912"	"837,447,232"
1107	oleoyl CoA	Lipid	Fatty Acid Metabolism	57751	LC/MS Polar	443	2569	514.67299	1716-06-9		21403005	C00510	HMDB01322	"362,718"	"131,862"	"407,117"	"316,165"	"840,256"	"247,575"	"347,802"	"506,166"	"1,243,734"	"708,596"	"725,000"	"590,935"	"970,740"	"969,701"	"671,516"	"1,044,488"	"456,573"	"642,651"	"516,276"	"394,784"
1560	oleoyl ethanolamide	Lipid	Endocannabinoid	38102	LC/MS Neg	1137	6450	324.2908	11-58-0;111-58-0	5283454	4446574		HMDB02088	"3,250,757"	"769,182"	"1,601,890"	"994,503"	"3,429,952"	"1,368,071"	"2,099,035"	"2,932,048"	"1,503,883"	"1,505,098"	"1,507,639"	"3,380,124"	"2,169,597"	"4,127,042"	"3,003,654"	"1,936,434"	"2,665,363"	"1,547,439"	"3,219,670"	"1,222,455"
2240	oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*	Lipid	Diacylglycerol	54961	LC/MS Pos Late	100010937	2990	660.55616					HMDB07228	"7,636,918"	"3,372,079"	"5,092,437"	"9,418,970"	"7,717,056"	"4,042,176"	"4,741,782"	"6,262,542"	"4,724,002"	"5,994,487"	"3,850,798"	"5,571,675"	"6,640,021"	"7,195,942"	"3,347,004"	"7,659,011"	"7,841,044"	"9,432,502"	"7,083,390"	"3,592,474"
2226	oleoyl-linoleoyl-glycerol (18:1/18:2) [1]	Lipid	Diacylglycerol	46798	LC/MS Pos Late	100002989	3115	636.55616	106292-55-1		23975985		HMDB07219	"3,216,101"	"1,264,025"	"2,530,741"	"3,947,065"	"3,142,830"	"1,785,829"	"2,942,787"	"2,905,326"	"2,211,168"	"2,920,052"	"1,940,065"	"2,431,413"	"3,284,916"	"3,405,654"	"1,457,877"	"2,965,524"	"3,806,579"	"4,315,314"	"3,321,034"	"1,033,166"
2227	oleoyl-linoleoyl-glycerol (18:1/18:2) [2]	Lipid	Diacylglycerol	46799	LC/MS Pos Late	100002990	3223	636.55616	104346-53-4		29788004		HMDB07219	"23,094,876"	"11,307,338"	"21,237,130"	"30,365,808"	"27,491,644"	"11,543,076"	"16,731,378"	"22,905,846"	"18,596,616"	"25,119,898"	"17,295,006"	"21,341,720"	"27,449,426"	"28,364,900"	"12,376,940"	"27,231,110"	"32,650,924"	"36,725,824"	"27,389,636"	"12,730,512"
2223	oleoyl-oleoyl-glycerol (18:1/18:1)  [1]*	Lipid	Diacylglycerol	54945	LC/MS Pos Late	100010918	3571	638.57181					HMDB07218	"4,118,094"	"1,192,267"	"2,435,091"	"4,793,686"	"4,822,516"	"1,308,351"	"2,896,829"	"4,277,211"	"3,852,599"	"2,040,364"	"1,745,815"	"3,194,339"	"5,158,215"	"4,897,385"		"5,433,628"	"4,321,939"	"5,656,310"	"3,779,030"	
2224	oleoyl-oleoyl-glycerol (18:1/18:1) [2]*	Lipid	Diacylglycerol	54946	LC/MS Pos Late	100010919	3695	638.57181					HMDB07218	"40,295,624"	"14,050,035"	"28,181,344"	"43,389,760"	"49,747,284"	"12,972,761"	"26,009,056"	"37,409,432"	"40,860,680"	"32,385,922"	"24,978,144"	"37,608,488"	"52,043,496"	"51,084,964"	"13,576,494"	"56,408,792"	"59,134,000"	"66,095,016"	"46,497,076"	"17,631,796"
1364	oleoylcarnitine (C18:1)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	35160	LC/MS Pos Late	100001501	1423	426.35779	38677-66-6	6441392	21403150		HMDB05065	"5,450,047"	"2,384,759"	"10,531,997"	"9,956,064"	"11,566,234"	"2,496,781"	"6,172,448"	"13,938,250"	"12,476,494"	"13,106,725"	"12,784,180"	"13,633,022"	"12,912,775"	"12,615,079"	"11,129,494"	"19,963,748"	"15,345,273"	"18,457,240"	"12,219,492"	"9,140,080"
1404	oleoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53260	LC/MS Pos Late	100009331	1449	368.35231						"1,296,244"	"1,348,235"	"1,109,083"	"1,447,772"	"1,097,308"	"614,030"	"908,245"	"1,315,124"	"1,755,627"	"1,663,203"	"1,693,214"	"1,202,212"	"1,572,517"	"1,458,359"	"944,937"	"1,645,183"	"2,039,509"	"2,167,959"	"1,909,108"	"1,196,729"
421	ophthalmate	Amino Acid	Glutathione Metabolism	34592	LC/MS Pos Early	100001311	2085	290.13467	495-27-2	7018721	7993181		HMDB05765	"251,790"		"312,361"	"348,421"	"1,082,722"	"310,392"	"802,351"	"847,696"	"1,022,383"	"930,408"	"706,495"	"713,310"	"1,484,742"	"1,523,364"	"330,944"	"1,793,228"	"963,879"	"1,100,528"	"1,344,661"	"396,976"
350	ornithine	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1493	LC/MS Pos Early	444	2800	133.09716	3184-13-2	6262	6026	C00077	HMDB03374	"353,796,448"	"194,389,248"	"389,419,264"	"376,733,664"	"467,715,648"	"320,615,296"	"478,939,488"	"461,508,000"	"451,478,464"	"420,929,728"	"347,815,296"	"358,135,104"	"376,156,672"	"396,591,520"	"272,212,256"	"403,811,040"	"405,015,616"	"395,991,008"	"365,652,736"	"266,954,576"
3305	orotate	Nucleotide	"Pyrimidine Metabolism, Orotate containing"	1505	LC/MS Polar	445	1638.1	155.00983	50887-69-9	967	942	C00295	HMDB00226	"383,058"	"305,476"	"573,802"	"621,525"	"1,366,739"	"655,457"	"224,013"	"243,765"	"508,048"	"351,607"	"192,181"	"217,051"	"264,953"	"311,325"	"419,993"	"492,644"	"356,090"	"449,516"	"449,036"	"446,260"
3560	p-cresol sulfate	Xenobiotics	Benzoate Metabolism	36103	LC/MS Neg	100001315	2890	187.00705	3233-57-7	4615423	3806480		HMDB11635	"1,386,889"	"1,189,048"	"999,029"	"2,022,864"	"997,422"	"1,257,927"	"1,194,617"	"1,046,978"	"1,566,484"	"1,077,727"	"697,139"	"676,018"	"1,520,114"	"1,643,528"	"1,020,278"	"1,229,214"	"1,367,603"	"1,204,439"	"1,195,271"	"611,612"
175	p-cresol-glucuronide*	Amino Acid	Tyrosine Metabolism	48841	LC/MS Neg	100006191	2420	283.08232	17680-99-8	154035	135751		HMDB11686	"28,679"	"115,763"	"95,726"	"87,851"		"90,313"	"76,157"	"58,315"	"83,040"	"42,256"	"26,740"		"60,240"	"63,715"	"78,430"	"24,678"	"95,436"	"48,774"	"58,520"	"53,677"
1126	palmitate (16:0)	Lipid	Long Chain Fatty Acid	1336	LC/MS Neg	424	5618	255.23295	57-10-3	985	960	C00249	HMDB00220	"1,547,943,424"	"480,532,192"	"720,335,424"	"704,236,224"	"1,279,719,680"	"591,298,432"	"740,735,360"	"1,963,851,520"	"554,549,952"	"546,660,416"	"659,677,824"	"1,543,869,952"	"861,089,920"	"1,519,730,560"	"970,308,032"	"764,383,552"	"921,822,912"	"737,967,040"	"1,337,991,296"	"527,394,336"
1127	palmitoleate (16:1n7)	Lipid	Long Chain Fatty Acid	33447	LC/MS Neg	452	5475	253.2173	373-49-9	445638	393216	C08362	HMDB03229	"333,423,872"	"52,521,916"	"94,146,608"	"102,625,192"	"294,624,832"	"60,015,420"	"139,364,336"	"337,528,384"	"97,400,632"	"63,188,308"	"115,530,656"	"322,033,824"	"246,559,216"	"444,360,192"	"157,902,544"	"160,619,680"	"205,418,048"	"151,783,248"	"363,553,120"	"73,401,792"
2211	palmitoleoyl-oleoyl-glycerol (16:1/18:1) [1]*	Lipid	Diacylglycerol	52632	LC/MS Pos Late	100009053	3035	610.54051		9543694	7822644		HMDB07131	"1,348,437"	"645,642"	"870,102"	"1,720,982"	"2,058,335"		"1,403,671"	"1,792,632"	"1,375,147"	"1,280,238"	"1,189,290"	"1,448,489"	"2,652,731"	"2,814,823"		"2,825,725"	"1,529,523"	"2,554,186"	"2,084,490"	"785,398"
2212	palmitoleoyl-oleoyl-glycerol (16:1/18:1) [2]*	Lipid	Diacylglycerol	52631	LC/MS Pos Late	100009054	3154	610.54051						"14,237,546"	"6,567,175"	"12,976,391"	"17,110,316"	"20,627,922"	"7,413,319"	"13,728,854"	"14,941,476"	"15,664,604"	"13,745,203"	"11,511,022"	"14,990,192"	"23,874,498"	"24,028,196"	"8,993,214"	"27,294,252"	"29,236,344"	"27,809,708"	"22,459,448"	"10,041,869"
1360	palmitoleoylcarnitine (C16:1)*	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	53223	LC/MS Pos Late	100009406	1357	398.32649		71464547	28639183			"1,659,635"	"783,426"	"3,250,430"	"2,612,022"	"3,475,883"	"903,186"	"2,148,323"	"4,252,118"	"3,664,521"	"3,682,598"	"3,967,610"	"3,371,818"	"4,145,884"	"3,638,770"	"3,589,536"	"6,877,653"	"5,571,010"	"5,686,434"	"3,851,293"	"3,391,149"
1405	palmitoloelycholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	53257	LC/MS Pos Late	100009334	1385	340.32101						"294,971"	"372,324"	"368,952"	"392,198"	"274,618"		"181,278"	"285,487"	"504,528"	"507,177"	"482,222"	"244,585"	"402,052"	"344,225"	"229,365"	"751,798"	"662,077"	"574,443"	"649,996"	"375,643"
2283	palmitoyl dihydrosphingomyelin (d18:0/16:0)*	Lipid	Sphingolipid Metabolism	52434	LC/MS Pos Late	100008954	2290	705.5905		9939965	8115586			"73,977,824"	"49,554,612"	"78,127,920"	"98,835,760"	"94,844,048"	"58,889,932"	"77,691,104"	"103,624,768"	"77,340,096"	"98,271,368"	"83,375,240"	"87,203,776"	"108,016,312"	"110,601,584"	"65,567,092"	"113,337,488"	"98,243,456"	"113,956,088"	"104,295,920"	"57,412,524"
1563	palmitoyl ethanolamide	Lipid	Endocannabinoid	38165	LC/MS Pos Late	1489	1643	300.28971	544-31-0	4671	4509	C16512	HMDB02100	"244,415"	"297,297"	"301,809"	"347,824"	"253,171"	"269,920"	"272,508"	"296,804"	"242,013"	"269,780"	"231,749"	"222,343"	"257,466"	"279,219"	"294,062"	"262,015"	"305,627"	"363,193"	"259,938"	"294,548"
2285	palmitoyl sphingomyelin (d18:1/16:0)	Lipid	Sphingolipid Metabolism	37506	LC/MS Pos Late	100002107	2168	703.57485	6254-89-3	9939941	8115562			"357,135,328"	"297,405,376"	"331,294,944"	"445,976,096"	"366,379,264"	"259,969,776"	"298,742,816"	"434,576,128"	"316,831,616"	"324,206,208"	"312,448,096"	"360,738,976"	"382,620,416"	"405,068,992"	"307,684,960"	"378,996,448"	"330,657,376"	"423,042,752"	"412,201,824"	"301,952,832"
2215	palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*	Lipid	Diacylglycerol	54957	LC/MS Pos Late	100010924	2916	634.54051					HMDB07112	"1,098,845"	"823,400"	"938,502"	"1,031,977"	"1,028,882"	"889,631"	"1,237,196"	"668,061"	"556,752"	"830,152"	"586,313"	"649,293"	"711,648"	"1,162,833"	"761,428"	"836,998"	"1,070,628"	"1,060,101"	"783,258"	"639,647"
2216	palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*	Lipid	Diacylglycerol	54958	LC/MS Pos Late	100010925	3015	634.54051					HMDB07112	"5,346,751"	"2,705,279"	"3,770,301"	"6,235,287"	"5,763,470"	"3,023,119"	"3,213,462"	"4,429,420"	"3,775,819"	"4,274,950"	"2,835,038"	"3,892,369"	"4,405,403"	"5,228,696"	"2,690,601"	"5,197,699"	"4,916,390"	"5,781,942"	"4,232,868"	"2,699,622"
2210	palmitoyl-linolenoyl-glycerol (16:0/18:3) [2]*	Lipid	Diacylglycerol	54965	LC/MS Pos Late	100010939	2834	608.52486					HMDB07105	"424,531"	"219,110"	"273,753"	"106,033"	"201,230"			"186,712"	"149,142"	"168,749"	"175,245"	"125,949"	"96,563"	"300,652"		"421,836"	"195,752"	"303,583"	"132,830"	"130,198"
2209	palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*	Lipid	Diacylglycerol	52634	LC/MS Pos Late	100009055	3197	610.54051					HMDB07103	"15,501,220"	"10,454,509"	"14,468,303"	"17,387,732"	"16,895,360"	"10,121,959"	"11,622,389"	"15,206,370"	"15,138,355"	"16,165,399"	"11,064,828"	"13,558,998"	"14,986,043"	"17,375,604"	"10,939,503"	"18,522,348"	"18,196,164"	"19,067,690"	"14,638,316"	"10,673,430"
2200	palmitoyl-myristoyl-glycerol (16:0/14:0) [2]	Lipid	Diacylglycerol	57364	LC/MS Pos Late	100015610	3180	558.50921					HMDB07095	"491,839"	"218,002"	"457,286"	"484,416"	"407,661"	"136,426"	"278,547"	"297,729"	"508,517"	"349,814"	"222,281"	"372,279"	"491,970"	"409,313"	"234,025"	"509,964"	"623,552"	"471,219"	"419,507"	"227,507"
2206	palmitoyl-oleoyl-glycerol (16:0/18:1) [1]*	Lipid	Diacylglycerol	54943	LC/MS Pos Late	100010916	3562	612.55616				C13861	HMDB07102	"2,182,006"	"1,327,990"	"1,725,127"	"2,413,003"	"2,580,835"	"1,174,802"	"2,368,866"	"2,428,048"	"2,515,078"	"1,847,455"	"1,476,967"	"1,879,268"	"2,649,126"	"2,772,010"	"1,176,950"	"3,009,259"	"2,856,135"	"3,032,519"	"2,336,236"	"1,234,023"
2207	palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*	Lipid	Diacylglycerol	54942	LC/MS Pos Late	100010917	3695	612.55616				C13861	HMDB07102	"23,759,508"	"12,798,193"	"20,224,560"	"25,485,938"	"29,814,830"	"11,521,141"	"18,667,408"	"22,860,254"	"29,416,300"	"22,305,736"	"18,336,940"	"23,683,968"	"28,532,652"	"28,106,140"	"12,875,061"	"32,434,612"	"37,048,360"	"34,385,880"	"28,030,784"	"15,565,689"
2204	palmitoyl-palmitoyl-glycerol (16:0/16:0) [2]*	Lipid	Diacylglycerol	54990	LC/MS Pos Late	100010948	3734	586.54051					HMDB07098	"1,410,268"	"1,137,938"	"1,151,671"	"1,310,488"	"1,484,451"	"818,888"	"886,766"	"1,146,020"	"2,071,162"	"1,184,677"	"881,556"	"1,250,796"	"1,291,913"	"1,139,148"	"754,737"	"1,477,879"	"1,841,397"	"1,623,387"	"1,195,495"	"1,175,772"
1359	palmitoylcarnitine (C16)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	44681	LC/MS Pos Late	100000776	1425	400.34214	6865-14-1	461	448	C02990	HMDB00222	"2,574,148"	"2,236,757"	"5,080,015"	"3,914,525"	"2,728,592"	"1,642,405"	"2,066,426"	"4,138,351"	"4,688,127"	"7,166,719"	"4,876,550"	"3,989,544"	"3,722,604"	"3,493,143"	"5,273,094"	"5,863,829"	"4,767,694"	"5,829,806"	"4,202,556"	"6,334,028"
1403	palmitoylcholine	Lipid	Fatty Acid Metabolism (Acyl Choline)	52944	LC/MS Pos Late	100009233	1482	342.33666		151731	133731			"689,746"	"1,126,096"	"662,360"	"728,272"	"460,672"	"410,298"	"456,310"	"621,347"	"634,293"	"766,896"	"886,747"	"530,703"	"574,686"	"532,122"	"615,874"	"589,166"	"924,814"	"871,449"	"712,495"	"667,904"
3411	pantetheine	Cofactors and Vitamins	Pantothenate and CoA Metabolism	57555	LC/MS Pos Early	100001495	2056	279.13731	496-65-1	439322	388453	C00831		"167,997"	"257,026"	"364,547"	"366,411"	"289,741"	"321,209"	"490,789"	"459,682"	"379,462"	"430,496"	"475,128"	"513,544"	"404,687"	"331,770"	"564,503"	"376,668"	"351,625"	"346,331"	"417,288"	"251,972"
3404	pantothenate	Cofactors and Vitamins	Pantothenate and CoA Metabolism	1508	LC/MS Neg	1024	1498.7	218.10339	137-08-6	6613	6361	C00864	HMDB00210	"12,294,911"	"18,219,192"	"12,938,981"	"19,924,958"	"11,650,916"	"13,726,932"	"14,501,535"	"11,707,937"	"15,800,083"	"15,579,733"	"23,828,600"	"27,349,496"	"11,933,684"	"13,981,708"	"9,560,844"	"24,689,010"	"12,694,465"	"11,527,339"	"12,379,153"	"21,753,494"
4275	penicillin G	Xenobiotics	Drug	37468	LC/MS Neg	100002155	3855	333.09145	69-57-8	5904	2259	C05551	HMDB15186	"28,351,384"	"23,829,214"	"28,835,000"	"43,869,828"	"23,131,500"	"22,902,484"	"22,563,262"	"25,419,064"	"39,284,772"	"38,870,348"	"37,586,560"	"38,277,048"	"27,134,620"	"29,965,736"	"17,913,682"	"38,831,848"	"31,426,596"	"25,441,396"	"23,346,822"	"25,283,364"
1125	pentadecanoate (15:0)	Lipid	Long Chain Fatty Acid	1361	LC/MS Neg	980	5521	241.2173	1002-84-2;10002-84-2	13849	13249	C16537	HMDB00826	"37,971,132"	"9,646,654"	"13,936,636"	"13,166,324"	"26,952,616"	"12,994,899"	"15,035,739"	"43,577,768"	"11,006,306"	"10,548,807"	"12,779,413"	"31,025,258"	"15,811,533"	"31,812,876"	"24,476,316"	"11,149,609"	"17,944,998"	"11,608,967"	"26,251,676"	"11,611,074"
141	phenol glucuronide	Amino Acid	Tyrosine Metabolism	52747	LC/MS Neg	100006679	1800	269.06667	17685-05-1	87235	78692		HMDB60014	"1,177,352"	"2,147,154"	"1,299,705"	"1,504,098"	"804,501"	"1,099,920"	"1,630,959"	"832,824"	"1,409,813"	"843,859"	"1,630,669"	"769,236"	"1,273,084"	"1,870,569"	"1,154,407"	"817,366"	"1,957,837"	"1,010,652"	"985,660"	"830,958"
4555	phenol red	Xenobiotics	Chemical	36817	LC/MS Neg	100001724	3665.9	353.04891	143-74-8	4766	4602	C12600		"9,294,991"	"12,208,475"	"11,501,227"	"13,865,193"	"8,284,998"	"10,613,633"	"10,890,692"	"9,930,790"	"11,814,511"	"6,201,150"	"6,652,649"	"6,364,045"	"8,571,025"	"10,902,957"	"6,843,790"	"7,023,325"	"10,817,609"	"8,368,973"	"8,788,846"	"5,047,582"
140	phenol sulfate	Amino Acid	Tyrosine Metabolism	32553	LC/MS Neg	100001510	2156	172.9914	937-34-8	74426	67018	C02180	HMDB60015	"31,675,030"	"25,780,976"	"17,650,856"	"30,973,688"	"19,261,874"	"10,440,076"	"21,553,174"	"18,926,684"	"37,768,132"	"17,327,012"	"18,448,744"	"18,252,852"	"28,708,430"	"41,489,160"	"15,749,174"	"22,090,230"	"33,660,408"	"21,928,464"	"22,285,970"	"8,919,145"
865	phenylacetylglutamine	Peptide	Acetylated Peptides	35126	LC/MS Pos Early	100001417	2145	265.11829	28047-15-6	92258	270643	C04148	HMDB06344	"4,234,390"	"1,626,162"	"5,355,434"	"4,543,056"	"6,244,866"	"4,373,315"	"8,483,192"	"5,555,589"	"8,812,814"	"8,423,474"	"4,151,132"	"3,689,263"	"7,920,039"	"7,415,036"	"4,504,452"	"8,869,018"	"6,224,083"	"6,240,510"	"6,435,798"	"2,916,354"
867	phenylacetylglycine	Peptide	Acetylated Peptides	33945	LC/MS Neg	100001275	2375	192.06661	500-98-1	68144	61452	C05598	HMDB00821	"954,083"	"1,093,450"	"905,593"	"1,335,961"	"3,291,636"	"5,088,326"	"4,559,178"	"3,796,438"	"2,692,246"	"2,015,086"	"1,921,387"	"1,783,867"	"3,445,823"	"4,651,796"	"2,914,700"	"3,707,824"	"5,204,085"	"3,676,391"	"3,432,176"	"2,104,340"
109	phenylalanine	Amino Acid	Phenylalanine Metabolism	64	LC/MS Pos Early	460	2878	166.08626	63-91-2	6140	5910	C00079	HMDB00159	"1,831,001,472"	"1,380,445,312"	"1,729,025,536"	"1,721,879,680"	"1,612,271,616"	"1,414,185,600"	"1,395,209,216"	"1,563,363,712"	"1,442,846,720"	"1,394,465,536"	"1,085,235,584"	"1,230,266,624"	"1,247,065,984"	"1,339,846,272"	"1,222,338,816"	"1,600,422,784"	"1,355,435,648"	"1,546,415,488"	"1,626,939,776"	"1,298,945,408"
686	phenylalanylalanine	Peptide	Dipeptide	41374	LC/MS Neg	100003589	2745	235.10881	3918-87-4	5488196	4589716			"352,865"	"408,474"	"343,200"	"607,899"	"432,576"	"558,872"	"210,810"	"405,117"	"857,961"	"257,910"	"159,479"	"209,862"	"406,182"	"833,885"	"271,329"	"413,096"	"754,163"	"606,728"	"571,941"	"231,068"
687	phenylalanylarginine	Peptide	Dipeptide	41487	LC/MS Pos Early	100003597	3223	322.18737	1238-09-1	10268029	8443508			"1,428,537"	"970,146"	"1,224,647"	"1,592,381"	"2,141,978"	"1,120,448"	"891,184"	"2,143,838"	"2,244,319"	"1,841,897"	"1,728,489"	"2,000,339"	"2,059,802"	"2,209,438"	"1,041,874"	"2,569,136"	"1,899,410"	"2,224,011"	"2,609,168"	"1,476,677"
688	phenylalanylaspartate	Peptide	Dipeptide	41419	LC/MS Neg	100003595	1569	279.09864	22828-05-3	335051	296912			"1,601,838"	"1,849,706"	"1,553,417"	"2,120,544"	"1,272,553"	"1,733,768"	"933,329"	"1,280,393"	"1,229,550"	"607,580"	"381,295"	"425,761"	"806,008"	"1,404,106"	"943,002"	"1,086,466"	"1,964,212"	"1,359,977"	"1,379,789"	"758,147"
689	phenylalanylglutamate	Peptide	Dipeptide	41432	LC/MS Neg	100003596	1621	293.11429	3617-45-6	4422358	3622675			"644,576"	"737,063"	"546,678"	"958,041"	"586,741"	"924,515"	"326,960"	"613,478"	"940,127"	"409,511"	"306,458"	"281,376"	"381,702"	"657,777"	"426,083"	"708,744"	"963,892"	"652,889"	"684,066"	"569,827"
690	phenylalanylglycine	Peptide	Dipeptide	41370	LC/MS Neg	100003588	2462	221.09316	721-90-4	98207	88678		HMDB28995	"2,610,013"	"2,283,139"	"2,318,992"	"3,495,635"	"2,754,912"	"2,356,921"	"1,698,202"	"2,476,588"	"4,053,835"	"1,599,678"	"1,014,239"	"1,424,885"	"2,549,762"	"3,662,000"	"1,905,389"	"2,565,978"	"4,733,891"	"3,755,479"	"3,758,754"	"1,462,786"
691	phenylalanylhistidine	Peptide	Dipeptide	44881	LC/MS Neg	100004579	2610	301.13061			14892541			"133,272"	"84,699"	"122,968"	"84,242"	"141,810"	"111,027"	"79,507"	"136,667"	"282,424"	"112,383"	"70,047"	"70,027"	"144,898"	"191,538"	"90,061"	"167,675"	"229,429"	"200,409"	"213,858"	"112,696"
693	phenylalanylleucine	Peptide	Dipeptide	40192	LC/MS Neg	100003200	4179	277.15576	3303-55-7	4078229	3293068			"216,350"	"151,249"	"227,211"	"186,146"	"216,556"	"243,046"	"86,530"	"211,151"	"467,828"	"124,935"	"53,677"	"61,681"	"179,618"	"367,020"	"116,552"	"253,609"	"401,316"	"258,993"	"276,931"	"67,334"
701	phenylalanyllysine	Peptide	Dipeptide	54776	LC/MS Pos Early	100009312	3230	294.18122			16568358		HMDB29000	"754,635"	"538,673"	"774,974"	"848,417"	"1,238,145"	"667,183"	"402,018"	"1,324,876"	"1,223,502"	"935,018"	"367,159"	"795,749"	"919,010"	"974,992"	"475,106"	"1,501,169"	"934,244"	"1,392,829"	"1,473,832"	"899,084"
694	phenylalanylmethionine	Peptide	Dipeptide	41436	LC/MS Neg	100003591	3635	295.11218	15080-84-9	7010506	10441391			"32,593"		"53,265"	"21,157"	"45,684"	"69,275"		"56,333"	"78,138"	"23,699"			"18,723"	"50,935"	"22,496"	"46,052"	"82,973"	"68,928"	"66,202"	
696	phenylalanylproline	Peptide	Dipeptide	41392	LC/MS Neg	100003592	3245	261.12446	7669-65-0	4069131	3284305			"388,724"	"376,104"	"415,860"	"201,438"	"250,743"	"365,636"	"136,271"	"271,313"	"221,763"	"164,642"	"80,394"	"95,312"	"180,107"	"329,018"	"187,256"	"240,643"	"357,610"	"349,659"	"306,475"	"165,143"
697	phenylalanylserine	Peptide	Dipeptide	40016	LC/MS Pos Early	100003252	2770	253.11829	16053-39-7	9859812	8035511			"876,571"	"626,569"	"873,243"	"889,599"	"1,333,180"	"843,267"	"931,990"	"1,281,298"	"1,934,342"	"1,845,895"	"2,208,313"	"2,650,734"	"2,665,951"	"2,456,089"	"1,123,035"	"1,945,699"	"1,482,612"	"1,732,450"	"2,027,435"	"1,292,814"
123	phenylalanylthreonine	Amino Acid	Phenylalanine Metabolism	57657	LC/MS Neg	100015678	2738	265.11938			16568360		HMDB29005	"1,001,941"	"951,318"	"969,603"	"1,408,403"	"1,185,065"	"1,128,521"	"763,330"	"1,142,998"	"1,963,765"	"742,177"	"520,566"	"622,760"	"1,082,533"	"1,795,856"	"910,394"	"1,101,138"	"2,088,718"	"1,466,472"	"1,536,989"	"611,173"
699	phenylalanyltyrosine	Peptide	Dipeptide	41527	LC/MS Neg	100003593	3285	327.13503	17355-18-9	515709	10442875			"42,163"	"41,056"	"64,257"	"61,773"	"40,679"	"55,128"		"34,319"						"36,344"	"30,083"	"40,130"	"37,047"	"34,114"	"37,089"	
700	phenylalanylvaline	Peptide	Dipeptide	41393	LC/MS Pos Early	100003590	3115	265.15467	3918-90-9	4096934	3311095		HMDB29008	"322,136"	"88,282"	"178,825"	"287,470"	"250,032"	"181,227"		"357,101"	"218,019"	"191,818"	"67,559"	"190,303"	"180,576"	"191,788"	"107,109"	"341,461"	"126,153"	"269,425"	"284,657"	
1093	phosphate	Energy	Oxidative Phosphorylation	42109	LC/MS Pos Early	461	576	98.98418	7664-38-2	1061	1032	C00009	HMDB01429	"75,573,008"	"75,104,992"	"102,501,704"	"85,561,696"	"69,479,136"	"70,808,456"	"71,607,632"	"81,955,872"	"81,774,496"	"87,460,144"	"70,100,688"	"75,064,464"	"60,587,480"	"79,681,552"	"50,965,440"	"73,141,008"	"60,268,548"	"61,892,148"	"80,113,968"	"47,515,984"
893	phosphoenolpyruvate (PEP)	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	597	LC/MS Neg	463	587.3	166.9751	10526-80-4	1005	980	C00074	HMDB00263	"1,670,113"	"483,666"	"393,699"	"1,611,266"	"537,800"	"164,930"	"209,188"	"530,767"	"458,699"	"339,428"	"736,059"	"1,687,548"	"1,009,917"	"1,157,280"	"387,984"	"895,232"	"4,495,038"	"3,636,059"	"7,911,086"	"3,000,626"
1624	phosphoethanolamine	Lipid	Phospholipid Metabolism	1600	LC/MS Pos Early	1026	700	142.02638	1071-23-4	1015	990	C00346	HMDB00224	"145,948,960"	"81,777,376"	"99,372,376"	"140,050,512"	"117,629,936"	"88,847,696"	"105,750,312"	"118,046,896"	"131,123,208"	"137,793,600"	"79,079,328"	"88,514,480"	"104,198,016"	"121,531,616"	"85,079,688"	"113,612,128"	"105,188,608"	"139,290,032"	"139,032,992"	"85,274,304"
3406	phosphopantetheine	Cofactors and Vitamins	Pantothenate and CoA Metabolism	15504	LC/MS Neg	100000328	1597	357.08908	NA	987	103123	C01134	HMDB01416	"149,797"	"269,957"	"209,029"	"209,438"	"159,509"	"430,686"	"230,242"	"181,284"	"161,283"	"138,417"	"145,589"	"138,901"	"118,688"	"138,503"	"215,680"	"117,431"	"216,632"	"125,085"	"120,852"	"102,098"
2309	phytosphingosine	Lipid	Sphingolipid Metabolism	1510	LC/MS Pos Late	469	1367	318.30027	554-62-1	122121	21238683	C12144	HMDB04610	"1,248,390"	"775,075"	"1,818,362"	"2,029,302"	"1,994,951"	"1,134,647"	"1,853,885"	"2,426,127"	"1,987,505"	"2,267,643"	"1,541,187"	"1,593,438"	"2,489,847"	"2,245,426"	"1,242,887"	"2,917,108"	"2,928,486"	"2,982,282"	"2,183,935"	"990,350"
220	picolinate	Amino Acid	Tryptophan Metabolism	1512	LC/MS Pos Early	1022	910	124.03931	98-98-6	1018	993	C10164	HMDB02243	"12,357,127"	"3,556,493"	"6,944,884"	"10,341,609"	"11,974,219"	"4,033,007"	"8,966,998"	"12,003,935"	"14,935,061"	"7,348,386"	"6,605,383"	"10,286,140"	"12,518,324"	"13,357,820"	"5,813,148"	"11,734,087"	"6,573,109"	"9,715,182"	"10,031,517"	"4,244,481"
103	pipecolate	Amino Acid	Lysine Metabolism	1444	LC/MS Pos Early	1025	2200	130.08626	4043-87-2	849	826	C00408	HMDB00070	"1,495,713"	"1,997,673"	"2,759,051"	"1,604,710"	"1,090,578"	"1,394,463"	"1,605,872"	"961,218"	"1,263,875"	"1,880,910"	"1,042,086"	"1,109,207"	"922,250"	"905,773"	"1,295,944"	"1,315,315"	"1,274,931"	"1,140,460"	"1,287,858"	"984,459"
357	proline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1898	LC/MS Pos Early	480	1603	116.07061	147-85-3	145742	128566	C00148	HMDB00162	"1,839,173,632"	"1,335,776,640"	"1,714,065,408"	"1,768,718,208"	"1,681,124,096"	"1,429,926,656"	"1,447,606,912"	"1,666,242,176"	"1,513,338,112"	"1,522,994,048"	"1,077,783,296"	"1,147,640,192"	"1,236,613,632"	"1,297,123,584"	"1,274,524,032"	"1,576,889,344"	"1,426,647,296"	"1,516,770,176"	"1,608,909,056"	"1,368,375,808"
702	prolylalanine	Peptide	Dipeptide	40705	LC/MS Pos Early	100003668	2290	187.10772	6422-36-2	418041	370069		HMDB29010	"11,956,610"	"6,063,037"	"11,427,198"	"11,884,336"	"13,051,531"	"9,243,666"	"7,528,470"	"11,031,101"	"11,490,558"	"10,728,146"	"6,071,060"	"8,536,844"	"11,572,191"	"12,669,222"	"10,876,013"	"17,728,476"	"13,471,478"	"16,479,996"	"18,971,624"	"11,011,586"
706	prolylglutamate	Peptide	Dipeptide	41381	LC/MS Pos Early	100003673	2190	245.1132	67644-00-2	3563697	2801159			"1,668,690"	"1,101,772"	"1,773,380"	"1,890,793"	"1,734,849"	"1,327,090"	"1,424,525"	"1,590,199"	"1,784,604"	"1,900,097"	"1,291,505"	"1,296,933"	"1,871,926"	"1,718,851"	"1,379,591"	"1,942,121"	"1,667,635"	"1,765,836"	"2,178,129"	"1,456,537"
707	prolylglutamine	Peptide	Dipeptide	40659	LC/MS Pos Early	100003672	2056	244.12919	18668-08-1		16209778			"1,436,582"	"761,316"	"1,205,465"	"1,442,265"	"1,620,096"	"1,102,275"	"1,047,987"	"1,730,286"	"1,488,680"	"1,368,049"	"659,034"	"895,428"	"1,489,105"	"1,356,264"	"1,373,906"	"2,275,674"	"1,728,056"	"2,197,518"	"2,630,111"	"1,600,304"
708	prolylglycine	Peptide	Dipeptide	40703	LC/MS Pos Early	100003674	2136	173.09207	2578-57-6	6426709	4932143		HMDB11178	"4,672,706"	"2,563,426"	"5,158,182"	"4,301,622"	"4,010,856"	"3,164,847"	"2,668,715"	"3,423,973"	"5,370,503"	"5,851,914"	"3,601,759"	"3,978,208"	"4,860,202"	"5,032,015"	"3,636,078"	"5,195,549"	"5,017,611"	"5,502,190"	"6,399,546"	"4,440,736"
711	prolyllysine	Peptide	Dipeptide	40662	LC/MS Pos Early	100003675	3016	244.16557	71227-70-8	9209431	7498109			"891,847"	"397,930"	"635,580"	"941,013"	"1,411,649"	"641,013"	"403,244"	"1,229,478"	"1,198,585"	"764,708"	"362,331"	"582,864"	"753,572"	"805,315"	"573,651"	"1,583,219"	"1,039,807"	"1,439,010"	"1,461,729"	"574,670"
712	prolylmethionine	Peptide	Dipeptide	41386	LC/MS Pos Early	100003676	2796	247.11109	52899-08-8	5233577	4402936		HMDB29023	"202,290"		"178,279"	"201,697"	"319,818"		"120,821"	"231,419"	"443,496"	"190,377"	"131,033"	"223,778"	"466,808"	"369,435"	"140,519"	"425,509"	"457,629"	"357,023"	"509,066"	"232,759"
714	prolylproline	Peptide	Dipeptide	40731	LC/MS Pos Early	100003678	2475	213.12337	20488-28-2	11622593	9797341		HMDB11180	"21,698,266"	"12,817,071"	"19,279,032"	"17,702,640"	"18,826,008"	"18,199,458"	"13,469,025"	"16,455,399"	"13,198,026"	"13,538,116"	"7,928,434"	"10,354,870"	"10,831,625"	"10,945,362"	"13,571,548"	"17,133,476"	"14,460,163"	"19,363,904"	"20,906,970"	"15,478,324"
715	prolylserine	Peptide	Dipeptide	40714	LC/MS Pos Early	100003679	2036	203.10264	71835-80-8	7408258	5730995		HMDB29026	"975,092"	"607,065"	"992,126"	"1,029,955"	"1,326,468"	"810,940"	"838,613"	"1,188,127"	"1,372,505"	"1,300,008"	"716,677"	"1,053,961"	"1,253,009"	"1,329,678"	"1,385,842"	"2,350,658"	"1,568,545"	"1,927,667"	"2,109,816"	"1,219,314"
716	prolylthreonine	Peptide	Dipeptide	44551	LC/MS Pos Early	100004615	2167	217.11829			16568368		HMDB29027	"1,972,246"	"691,406"	"1,653,624"	"1,644,482"	"1,588,791"	"1,476,240"	"645,702"	"1,845,269"	"1,399,836"	"1,247,574"			"1,093,853"	"1,062,611"	"1,220,248"	"2,619,327"	"1,716,813"	"2,022,205"	"2,386,594"	"1,655,539"
718	prolyltyrosine	Peptide	Dipeptide	40694	LC/MS Pos Early	100003681	2677	279.13394	19786-36-8	152264;7408108	134207			"361,879"	"300,025"	"256,518"		"224,694"	"271,057"		"280,094"	"832,631"	"946,771"	"652,841"	"616,520"	"511,553"	"353,409"	"260,000"	"288,357"		"479,372"	"369,141"	"254,096"
719	prolylvaline	Peptide	Dipeptide	40720	LC/MS Pos Early	100003682	2781	215.13902	52899-09-9	152307	134246			"1,440,754"	"622,699"	"1,143,033"	"1,485,881"	"1,415,599"	"1,073,695"	"767,958"	"1,287,724"	"1,382,634"	"1,421,270"	"824,179"	"1,178,165"	"1,426,387"	"1,436,385"	"1,097,627"	"2,215,380"	"1,778,659"	"2,060,081"	"2,218,528"	"1,549,938"
1328	propionylcarnitine (C3)	Lipid	Fatty Acid Metabolism (also BCAA Metabolism)	32452	LC/MS Pos Early	100001162	2590	218.13869	17298-37-2	107738	96904	C03017	HMDB00824	"17,465,896"	"9,618,426"	"20,008,024"	"19,381,340"	"18,207,952"	"14,246,223"	"18,800,108"	"17,739,212"	"27,995,904"	"26,952,954"	"18,118,720"	"17,186,900"	"15,544,843"	"17,535,668"	"19,035,898"	"19,541,692"	"10,825,165"	"11,453,551"	"10,233,111"	"9,104,388"
3319	pseudouridine	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	33442	LC/MS Neg	821	1100	243.06226	1445-07-4	15047	21403010	C02067	HMDB00767	"340,307"	"473,990"	"381,958"	"488,300"	"279,533"	"329,571"	"273,435"	"244,963"	"452,713"	"269,935"	"181,384"	"199,964"	"240,878"	"338,046"	"233,196"	"215,672"	"419,110"	"300,794"	"344,321"	"250,309"
3448	pterin	Cofactors and Vitamins	Pterin Metabolism	43023	LC/MS Pos Early	100004216	1805	164.05669	22363-60-4	73000	65806	C00715	HMDB00802	"845,489"	"528,432"	"1,044,826"	"805,803"	"1,125,268"	"632,852"	"1,462,794"	"939,084"	"1,590,992"	"1,174,921"	"1,943,322"	"1,413,469"	"1,956,861"	"1,799,010"	"1,124,811"	"1,882,650"	"1,296,444"	"965,480"	"1,023,201"	"569,407"
387	putrescine	Amino Acid	Polyamine Metabolism	1408	LC/MS Pos Early	49	3027	89.10733	110-60-1	1045	13837702	C00134	HMDB01414	"19,992,170"	"9,298,106"	"20,312,338"	"22,364,218"	"21,971,476"	"10,667,772"	"16,138,952"	"20,282,102"	"19,896,528"	"15,935,252"	"13,143,008"	"17,676,498"	"19,367,432"	"19,397,678"	"10,961,013"	"25,763,020"	"13,780,219"	"21,207,048"	"19,254,348"	"8,949,559"
3490	pyridoxal	Cofactors and Vitamins	Vitamin B6 Metabolism	1651	LC/MS Pos Early	491	2343	168.06552	65-22-5	1050	1021	C00250	HMDB01545	"13,933,305"	"9,618,940"	"11,118,637"	"10,499,337"	"10,293,218"	"9,729,015"	"12,326,811"	"10,762,981"	"10,786,000"	"9,948,146"	"8,959,805"	"9,169,917"	"10,183,329"	"10,028,653"	"8,818,723"	"10,471,155"	"10,800,559"	"10,261,373"	"13,795,841"	"8,182,146"
3489	pyridoxal phosphate	Cofactors and Vitamins	Vitamin B6 Metabolism	5331	LC/MS Neg	492	943	246.0173	41468-25-1	1051	1022	C00018	HMDB01491	"69,624"	"42,746"	"59,372"	"177,064"	"54,923"	"58,301"	"71,700"	"83,317"	"92,461"	"69,511"	"62,567"	"73,459"	"103,767"	"111,191"	"66,577"	"75,524"	"80,994"	"88,363"	"80,803"	"24,555"
3487	pyridoxamine	Cofactors and Vitamins	Vitamin B6 Metabolism	2150	LC/MS Pos Early	568	2975	169.09716	58052-48-5	1052	1023	C00534	HMDB01431	"4,538,855"	"3,110,114"	"3,144,642"	"4,542,693"	"3,768,200"	"3,041,190"	"5,518,722"	"3,639,322"	"4,808,882"	"4,351,606"	"4,467,864"	"5,435,215"	"5,059,575"	"4,856,170"	"3,689,762"	"5,539,328"	"4,673,511"	"5,411,668"	"6,400,182"	"4,630,278"
3488	pyridoxamine phosphate	Cofactors and Vitamins	Vitamin B6 Metabolism	3138	LC/MS Pos Early	493	1932	249.06349	529-96-4	1053	1024	C00647	HMDB01555	"244,147"		"155,096"	"272,304"	"281,302"	"152,518"	"373,565"	"172,653"	"256,199"	"140,076"		"268,040"	"284,075"	"316,521"	"247,622"	"423,625"	"368,793"	"261,620"	"369,539"	
3491	pyridoxate	Cofactors and Vitamins	Vitamin B6 Metabolism	31555	LC/MS Neg	100001121	2185	182.04588	82-82-6	6723	6467	C00847	HMDB00017	"6,788,234"	"2,378,845"	"4,963,283"	"8,115,843"	"6,725,092"	"2,905,199"	"8,135,324"	"6,419,507"	"9,503,940"	"4,641,384"	"5,559,324"	"4,630,323"	"12,181,012"	"15,534,746"	"4,160,592"	"11,017,760"	"11,968,784"	"9,830,892"	"9,031,424"	"3,421,627"
3485	pyridoxine (Vitamin B6)	Cofactors and Vitamins	Vitamin B6 Metabolism	608	LC/MS Pos Early	936	2442	170.08117	58-56-0	1054	1025	C00314	HMDB02075	"5,990,040"	"4,241,931"	"3,553,046"	"3,485,470"	"7,745,871"	"7,688,767"	"10,001,660"	"9,342,004"	"6,816,337"	"5,517,295"	"7,137,722"	"7,946,328"	"8,316,314"	"7,780,244"	"8,455,548"	"7,091,328"	"7,873,132"	"9,150,663"	"8,709,410"	"5,504,372"
49	pyroglutamine*	Amino Acid	Glutamate Metabolism	46225	LC/MS Pos Early	100001540	1900	129.06586	2353-44-8	134508	118562			"5,152,564"	"7,219,562"	"7,960,161"	"6,186,272"	"4,315,739"	"10,446,148"	"7,429,926"	"5,198,769"	"6,496,212"	"7,333,324"	"3,953,690"	"3,300,861"	"5,732,404"	"6,237,971"	"8,679,571"	"6,629,212"	"4,825,550"	"4,595,194"	"4,651,688"	"6,407,965"
722	pyroglutamylvaline	Peptide	Dipeptide	32394	LC/MS Neg	100001132	1755	227.10373	21282-10-0	152416	134331			"195,763"	"302,185"	"225,433"	"249,251"	"83,867"	"84,732"	"78,302"	"86,820"	"105,272"	"195,463"	"169,589"	"163,439"	"226,662"	"386,220"	"195,089"	"312,046"	"130,058"	"205,502"	"161,513"	"106,017"
894	pyruvate	Carbohydrate	"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism"	48990	LC/MS Polar	823	1083	87.00877	127-17-3	1060	96901	C00022	HMDB00243	"4,353,365"	"1,459,739"	"2,271,893"	"3,582,030"	"1,227,578"	"893,031"	"1,044,122"	"2,176,370"	"1,955,313"	"1,849,706"	"3,023,014"	"3,633,902"	"2,615,841"	"2,434,443"	"2,192,638"	"2,673,462"	"3,565,848"	"3,191,947"	"2,331,539"	"2,842,955"
3373	quinolinate	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	1899	LC/MS Neg	182	630	166.01458	89-00-9	1066	1037	C03722	HMDB00232	"18,624,380"	"7,384,717"	"14,948,899"	"18,614,496"	"15,868,733"	"10,621,211"	"14,187,198"	"14,296,924"	"16,323,311"	"12,347,279"	"8,750,019"	"10,975,164"	"17,871,792"	"16,422,738"	"11,616,934"	"18,776,560"	"12,441,059"	"17,492,776"	"16,842,820"	"10,274,377"
913	ribitol	Carbohydrate	Pentose Metabolism	15772	LC/MS Polar	100000406	1789.6	151.06119	488-81-3	6912	10254628	C00474	HMDB00508	"143,650"	"52,004"	"88,630"	"152,861"	"181,005"	"44,270"	"98,358"	"105,163"	"137,611"	"76,196"	"92,976"	"122,175"	"100,876"	"74,596"	"24,782"	"99,788"	"156,515"	"129,394"	"134,823"	"98,229"
3401	riboflavin (Vitamin B2)	Cofactors and Vitamins	Riboflavin Metabolism	1827	LC/MS Pos Early	500	2292	377.14557	83-88-5	493570	431981	C00255	HMDB00244	"201,131"			"159,972"	"219,236"	"135,414"	"193,859"	"120,208"	"194,902"	"155,693"	"83,322"	"189,577"	"265,263"	"250,247"	"181,720"		"168,483"	"218,197"	"231,248"	"227,354"
914	ribonate	Carbohydrate	Pentose Metabolism	27731	LC/MS Polar	100001007	2425	165.04046	03/08/5336	5460677	4574162	C01685	HMDB00867	"1,585,601"	"901,228"	"1,206,261"	"1,385,436"	"1,966,403"	"917,622"	"1,148,568"	"303,215"	"2,219,889"	"1,954,555"	"1,443,697"	"1,550,006"	"658,047"	"1,593,618"	"1,588,375"	"2,080,843"	"2,365,043"	"1,310,875"	"974,983"	"1,754,007"
912	ribose	Carbohydrate	Pentose Metabolism	1471	LC/MS Polar	914	1508.2	195.05103	50-69-1	5779	4470639	C00121	HMDB00283	"739,723"	"460,917"	"747,176"	"570,012"	"670,603"	"489,698"	"475,676"	"497,101"	"588,053"	"285,968"	"400,797"	"403,509"	"413,207"	"474,605"	"361,137"	"468,820"	"813,175"	"605,659"	"868,636"	"624,720"
57	S-1-pyrroline-5-carboxylate	Amino Acid	Glutamate Metabolism	42370	LC/MS Pos Early	35	1528	114.05496	2906-39-0	1196	10140206	C04322	HMDB01301	"396,545"	"204,621"	"380,672"		"602,470"	"625,359"		"595,974"	"297,008"	"451,914"		"406,801"	"602,390"			"488,868"		"498,645"	"589,981"	"311,534"
321	S-adenosylhomocysteine (SAH)	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	42382	LC/MS Neg	197	1832.4	383.11431	979-92-0	439155	16788012	C00021	HMDB00939	"5,759,444"	"3,967,240"	"6,929,656"	"6,835,494"	"5,091,586"	"4,834,411"	"6,765,661"	"4,347,775"	"6,389,649"	"6,362,497"	"6,050,946"	"5,236,182"	"6,490,770"	"7,045,635"	"4,111,773"	"7,356,392"	"7,164,597"	"5,108,683"	"5,009,625"	"4,392,756"
320	S-adenosylmethionine (SAM)	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	15915	LC/MS Pos Early	1263	3002	399.14452	24346-00-7;86867-01-8;86867-0108	34756		C00019	HMDB01185	"28,735,528"	"6,715,320"	"27,779,134"	"30,818,866"	"32,196,400"	"13,680,776"	"29,684,584"	"25,991,780"	"31,508,144"	"27,547,710"	"23,744,000"	"22,565,470"	"38,557,336"	"36,335,632"	"19,266,820"	"43,007,016"	"27,377,940"	"28,717,710"	"27,020,972"	"16,251,076"
412	S-methylglutathione	Amino Acid	Glutathione Metabolism	33944	LC/MS Polar	100001259	3080.4	320.09218	2922-56-7	3605667	2841309	C11347		"242,872"	"94,918"	"420,795"	"437,609"	"404,214"	"333,277"	"585,739"	"366,923"	"725,313"	"528,535"	"475,996"	"354,614"	"647,978"	"564,012"	"347,754"	"604,452"	"556,808"	"424,019"	"411,022"	"294,708"
423	S-nitrosoglutathione (GSNO)	Amino Acid	Glutathione Metabolism	47127	LC/MS Pos Early	100004662	2460	337.08125	57564-91-7	3514	3394		HMDB04645	"4,345,572"	"6,874,959"	"5,361,542"	"3,686,098"	"4,304,951"	"5,953,781"	"5,314,129"	"4,089,386"	"3,296,003"	"3,643,076"	"4,115,346"	"3,096,240"	"3,974,950"	"3,461,545"	"4,528,541"	"3,128,334"	"3,993,122"	"2,922,762"	"2,706,127"	"3,328,016"
938	sedoheptulose	Carbohydrate	Pentose Metabolism	53237	LC/MS Polar	100002619	2255	209.06667	3019-74-7	5459879	4573620		HMDB03219		"413,450"	"615,295"	"721,052"	"933,114"	"767,620"	"1,334,035"	"457,057"	"570,290"	"895,439"	"358,447"	"270,855"		"203,562"	"263,874"	"259,615"	"442,630"	"341,459"	"300,251"	"205,967"
906	sedoheptulose-7-phosphate	Carbohydrate	Pentose Phosphate Pathway	35649	LC/MS Neg	100001628	599.6	289.033	2646-35-7	616	596	C05382	HMDB01068	"3,239,844"	"5,245,146"	"6,282,384"	"3,830,822"	"6,305,771"	"9,279,630"	"16,938,814"	"4,148,720"	"4,910,970"	"5,995,303"	"4,148,590"	"3,837,567"	"4,361,180"	"4,374,133"	"3,280,252"	"4,085,887"	"4,449,538"	"3,734,910"	"3,971,298"	"2,815,075"
9	serine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	1648	LC/MS Pos Early	503	1239	106.04987	56-45-1	5951	5736	C00065	HMDB00187	"629,580,608"	"470,300,480"	"601,688,640"	"644,045,760"	"589,164,992"	"493,136,896"	"479,318,976"	"617,361,216"	"597,485,248"	"538,060,032"	"394,692,736"	"449,244,224"	"471,687,040"	"539,819,328"	"417,416,000"	"586,418,432"	"511,862,016"	"588,158,528"	"623,296,448"	"422,796,192"
725	serylalanine	Peptide	Dipeptide	42049	LC/MS Pos Early	100003520	2115	177.08699	6403-17-4	17958834	16440652		HMDB29032	"4,129,264"	"2,530,283"	"3,680,373"	"4,155,488"	"5,090,480"	"3,155,580"	"3,794,383"	"4,804,823"	"4,763,527"	"4,138,663"	"4,153,242"	"5,047,227"	"4,895,578"	"5,493,746"	"3,844,057"	"6,036,726"	"4,428,990"	"5,704,519"	"6,401,862"	"3,694,635"
728	serylglutamate	Peptide	Dipeptide	42041	LC/MS Pos Early	100003527	2022	235.09247	6403-16-3	3613616	2848904			"3,323,614"	"2,683,866"	"2,958,456"	"2,939,602"	"3,766,361"	"3,823,281"	"2,761,975"	"3,879,530"	"3,323,069"	"3,541,890"	"2,311,885"	"2,665,628"	"2,905,918"	"3,036,029"	"3,789,617"	"4,016,732"	"3,714,425"	"3,958,821"	"4,893,314"	"4,042,680"
723	serylglycine	Peptide	Dipeptide	42577	LC/MS Pos Early	100003519	1857	163.07134	687-63-8	136488	120257		HMDB29039	"5,307,955"	"3,761,535"	"3,031,646"	"5,158,976"	"6,139,647"	"3,399,481"	"3,596,727"	"5,054,023"	"4,773,410"	"2,758,796"	"3,458,405"	"5,039,370"	"4,981,714"	"5,984,254"	"3,741,816"	"4,411,486"	"5,386,564"	"7,167,190"	"8,061,171"	"3,305,659"
724	serylhistidine	Peptide	Dipeptide	42060	LC/MS Pos Early	100003530	2933	243.10878	67726-09-4		14732176			"9,268,915"	"5,987,056"	"9,076,939"	"9,649,512"	"11,284,573"	"8,657,968"	"7,287,618"	"10,518,709"	"10,758,081"	"9,316,405"	"6,145,888"	"7,541,846"	"9,647,034"	"9,769,176"	"9,352,292"	"13,235,718"	"10,551,282"	"12,706,396"	"13,641,165"	"8,738,297"
730	serylisoleucine	Peptide	Dipeptide	40193	LC/MS Pos Early	100003201	2972	219.13394	510-791-9560	71429009	16568376		HMDB29042		"60,360"	"103,491"		"129,520"			"138,581"	"493,262"	"409,679"	"399,463"	"432,124"	"271,038"	"357,556"		"234,316"	"235,383"	"227,878"	"304,491"	
731	serylleucine	Peptide	Dipeptide	40066	LC/MS Pos Early	100003202	3027	219.13394	6665-16-3	7015695	10438627		HMDB29043	"1,065,646"	"756,583"	"1,186,526"	"1,267,567"	"1,266,230"	"835,684"	"708,205"	"1,257,375"	"1,644,555"	"1,404,479"	"1,010,662"	"1,203,035"	"1,195,209"	"1,350,547"	"833,570"	"1,566,289"	"1,117,972"	"1,469,514"	"1,650,982"	"738,985"
810	seryllysine	Peptide	Dipeptide	54735	LC/MS Polar	100009314	4086	232.13028			10466544			"90,010"	"70,723"		"191,999"	"68,134"	"145,703"	"116,772"	"223,401"	"217,702"	"63,009"		"55,491"	"120,143"	"102,311"	"51,878"	"234,432"	"78,750"	"152,611"	"121,799"	"102,522"
732	serylmethionine	Peptide	Dipeptide	42043	LC/MS Pos Early	100003523	2689	237.09036	06/09/3227	151087	14732173			"273,759"	"185,311"	"236,379"	"380,282"	"349,635"	"218,352"	"218,284"	"418,280"	"532,093"	"332,110"	"258,482"	"298,198"	"475,706"	"414,941"	"228,213"	"538,508"	"367,012"	"434,440"	"467,901"	"131,053"
733	serylphenyalanine	Peptide	Dipeptide	40054	LC/MS Pos Early	100003253	3052	253.11829	16875-28-8		14732161		HMDB29046	"744,831"	"445,965"	"358,208"	"549,403"	"397,708"	"566,159"	"209,283"	"406,331"	"396,187"	"334,013"	"246,313"	"261,046"		"311,235"	"407,011"	"573,393"	"118,587"	"215,382"	"307,852"	
734	serylproline	Peptide	Dipeptide	42055	LC/MS Pos Early	100003524	2310	203.10264	23827-93-2	4369021	11613252		HMDB29047	"8,934,090"	"6,423,833"	"8,068,658"	"7,776,763"	"8,821,953"	"7,351,730"	"5,515,341"	"7,684,350"	"6,472,734"	"6,419,832"	"4,525,930"	"5,574,941"	"5,547,452"	"5,560,651"	"5,906,286"	"8,356,486"	"6,478,576"	"7,159,343"	"8,104,161"	"6,091,261"
735	serylserine	Peptide	Dipeptide	42053	LC/MS Pos Early	100003521	1762	193.0819	6620-95-7	138784	122389			"5,312,153"	"3,184,200"	"4,503,030"	"5,026,756"	"6,632,494"	"3,621,843"	"5,230,984"	"6,523,170"	"7,540,402"	"5,562,991"	"6,119,336"	"7,814,065"	"8,726,045"	"8,419,092"	"4,784,335"	"8,353,956"	"5,650,587"	"7,467,664"	"7,984,409"	"4,507,312"
566	serylthreonine	Peptide	Dipeptide	54732	LC/MS Pos Early	100009315	1986	207.09755			16568382		HMDB29049	"4,670,719"	"2,762,195"	"3,701,115"	"4,515,863"	"5,709,447"	"3,432,133"	"4,022,711"	"5,150,900"	"5,603,087"	"4,622,470"	"5,089,880"	"6,013,030"	"6,475,596"	"7,074,888"	"4,362,019"	"6,341,476"	"5,595,696"	"6,877,469"	"7,278,416"	"4,350,044"
813	seryltryptophan	Peptide	Dipeptide	54775	LC/MS Neg	100009316	2231	290.11463			14732167			"48,907"	"63,287"	"63,976"	"102,230"	"42,361"	"64,302"	"44,789"	"50,129"	"66,887"	"32,192"		"10,153"	"22,736"	"64,142"	"43,057"	"41,992"	"57,530"	"45,210"	"34,214"	
736	seryltyrosine	Peptide	Dipeptide	42077	LC/MS Pos Early	100003525	2597	269.1132	21435-27-8	4575735	3768506		HMDB29051	"1,603,312"	"1,333,716"	"1,806,299"	"1,967,019"	"1,837,377"	"1,869,676"	"1,561,932"	"1,756,031"	"1,827,816"	"1,546,567"	"1,546,164"	"1,558,333"	"1,607,385"	"1,499,548"	"1,539,592"	"1,804,842"	"1,260,165"	"1,498,735"	"1,643,360"	"1,082,000"
737	serylvaline	Peptide	Dipeptide	42058	LC/MS Pos Early	100003522	2700	205.11829	51782-06-0	7020159	16568384		HMDB29052	"856,935"	"506,143"	"769,146"	"786,912"	"979,012"	"644,819"	"777,448"	"1,006,076"	"1,514,590"	"1,331,896"	"1,309,696"	"1,364,263"	"1,507,854"	"1,582,750"	"606,761"	"1,402,332"	"1,030,401"	"1,043,184"	"1,277,879"	"792,591"
388	spermidine	Amino Acid	Polyamine Metabolism	485	LC/MS Pos Early	50	3355	146.16518	124-20-9	1102	1071	C00315	HMDB01257	"31,315,428"	"20,631,114"	"37,211,384"	"32,797,604"	"36,417,644"	"28,085,692"	"32,767,312"	"32,488,796"	"35,631,360"	"32,941,132"	"23,843,754"	"30,265,844"	"34,169,728"	"35,550,436"	"30,377,760"	"44,724,656"	"39,832,112"	"42,361,672"	"46,524,484"	"31,270,846"
2327	sphingadienine	Lipid	Sphingolipid Metabolism	57426	LC/MS Pos Late	100015643	1350	298.27406	25696-03-1	6449795	4952479			"19,834,428"	"16,940,980"	"35,115,748"	"31,769,632"	"31,962,940"	"30,381,824"	"36,766,232"	"35,445,180"	"25,350,664"	"31,984,630"	"23,644,234"	"24,098,628"	"43,477,544"	"46,059,920"	"39,782,528"	"48,338,000"	"52,688,500"	"51,924,680"	"45,055,428"	"35,271,476"
2268	sphinganine	Lipid	Sphingolipid Metabolism	17769	LC/MS Pos Late	313	1413	302.30536	3102-56-5	3126	3014	C00836	HMDB00269	"1,799,049"	"1,866,279"	"3,179,735"	"2,698,602"	"2,877,827"	"2,456,669"	"3,220,447"	"3,016,717"	"2,454,049"	"3,941,798"	"2,549,879"	"2,286,994"	"3,090,149"	"3,338,031"	"2,793,673"	"3,940,178"	"4,657,205"	"3,822,657"	"3,193,825"	"2,736,645"
2293	"sphingomyelin (d17:1/16:0, d18:1/15:0, d16:1/17:0)*"	Lipid	Sphingolipid Metabolism	52433	LC/MS Pos Late	100006314	2082	689.5592	121999-58-4		28532779			"34,787,000"	"25,725,706"	"39,542,420"	"50,529,440"	"40,190,640"	"31,296,452"	"33,406,012"	"45,640,060"	"35,716,984"	"41,280,032"	"32,944,120"	"35,953,548"	"44,940,960"	"47,673,964"	"35,870,328"	"48,908,072"	"44,962,616"	"52,945,476"	"50,572,356"	"29,089,014"
2320	"sphingomyelin (d17:2/16:0, d18:2/15:0)*"	Lipid	Sphingolipid Metabolism	57483	LC/MS Pos Late	100015793	1837	687.54355						"386,504"	"364,997"	"565,557"	"788,412"	"455,262"	"342,229"	"439,272"	"623,999"	"429,076"	"443,742"	"353,550"	"386,194"	"472,146"	"683,100"	"417,108"	"565,600"	"466,698"	"663,839"	"643,822"	"371,320"
2319	"sphingomyelin (d18:0/18:0, d19:0/17:0)*"	Lipid	Sphingolipid Metabolism	57473	LC/MS Pos Late	100009027	2362	733.6218			24846878		HMDB12087	"11,884,174"	"6,624,676"	"11,540,100"	"15,584,408"	"15,383,088"	"9,076,989"	"12,358,405"	"16,751,391"	"11,746,078"	"15,852,534"	"12,716,821"	"13,812,996"	"16,820,634"	"16,847,128"	"9,628,455"	"17,250,838"	"15,237,625"	"17,408,666"	"15,220,453"	"7,636,072"
2318	"sphingomyelin (d18:0/20:0, d16:0/22:0)*"	Lipid	Sphingolipid Metabolism	57476	LC/MS Pos Late	100015786	2600	761.65311						"3,887,803"	"1,742,828"	"6,221,662"	"6,696,959"	"8,793,252"	"3,365,329"	"6,514,670"	"6,972,641"	"7,776,040"	"7,169,596"	"5,322,116"	"5,988,522"	"8,192,527"	"10,525,907"	"4,721,467"	"10,834,692"	"8,948,343"	"11,133,346"	"9,473,199"	"3,078,299"
2291	"sphingomyelin (d18:1/14:0, d16:1/16:0)*"	Lipid	Sphingolipid Metabolism	42463	LC/MS Pos Late	100004328	1998	675.54355		11433862	9608732		HMDB12097	"38,868,868"	"29,745,058"	"44,119,696"	"54,930,068"	"42,780,164"	"31,666,548"	"37,841,412"	"53,116,460"	"38,014,544"	"45,821,032"	"38,989,200"	"40,026,232"	"50,611,212"	"54,501,728"	"38,211,272"	"54,629,556"	"52,926,384"	"61,475,152"	"55,286,520"	"33,084,386"
2295	"sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)"	Lipid	Sphingolipid Metabolism	52615	LC/MS Pos Late	100008920	2312	717.5905	121999-64-2					"10,320,411"	"8,058,472"	"9,975,361"	"12,155,143"	"11,183,018"	"10,172,791"	"9,425,912"	"11,335,454"	"8,167,470"	"9,723,278"	"8,085,928"	"9,945,345"	"10,907,750"	"12,034,145"	"9,736,957"	"10,071,081"	"9,705,231"	"12,755,694"	"12,394,963"	"8,174,519"
2296	"sphingomyelin (d18:1/18:1, d18:2/18:0)"	Lipid	Sphingolipid Metabolism	37529	LC/MS Pos Late	100002106	2167	729.5905	108392-10-5	6443882	4947837		HMDB12101	"8,684,819"	"7,589,669"	"7,836,117"	"10,332,726"	"9,135,296"	"6,870,208"	"7,090,695"	"10,838,109"	"6,655,027"	"7,889,167"	"7,226,806"	"8,329,528"	"8,632,383"	"8,939,129"	"8,012,150"	"8,160,469"	"7,739,794"	"9,333,245"	"9,284,654"	"7,294,187"
2322	"sphingomyelin (d18:1/19:0, d19:1/18:0)*"	Lipid	Sphingolipid Metabolism	57475	LC/MS Pos Late	100015787	2330	745.62178						"2,899,474"	"1,700,721"	"2,635,818"	"4,065,733"	"5,975,443"	"2,287,734"	"2,330,660"	"3,875,623"	"3,089,780"	"3,357,330"	"2,617,597"	"3,718,362"	"3,710,241"	"3,826,464"	"2,719,128"	"4,557,624"	"2,901,007"	"4,907,426"	"4,060,386"	"2,056,683"
2297	"sphingomyelin (d18:1/20:0, d16:1/22:0)*"	Lipid	Sphingolipid Metabolism	48490	LC/MS Pos Late	100006290	2685	759.6375			23113477		HMDB12102	"25,342,524"	"13,997,459"	"22,205,568"	"31,645,546"	"28,171,092"	"18,478,896"	"20,438,986"	"34,053,340"	"27,201,434"	"20,030,940"	"19,157,752"	"24,300,844"	"28,521,384"	"35,742,408"	"20,349,350"	"35,920,812"	"28,297,656"	"38,857,104"	"35,833,720"	"16,482,651"
2298	"sphingomyelin (d18:1/20:1, d18:2/20:0)*"	Lipid	Sphingolipid Metabolism	48491	LC/MS Pos Late	100006292	2383	757.6218	222403-67-0					"6,329,361"	"4,324,399"	"5,487,819"	"8,098,825"	"7,762,073"	"4,167,682"	"5,076,095"	"8,003,877"	"5,962,712"	"5,436,087"	"5,474,404"	"6,774,447"	"7,340,731"	"7,673,425"	"4,653,126"	"7,371,404"	"5,775,080"	"8,455,621"	"8,140,190"	"4,510,743"
2299	"sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*"	Lipid	Sphingolipid Metabolism	52495	LC/MS Pos Late	100009025	2793	773.65311						"5,060,835"	"1,463,607"	"5,834,195"	"9,006,217"	"8,391,259"	"3,998,924"	"6,272,069"	"7,535,714"	"8,675,929"	"6,870,252"	"5,511,679"	"6,550,659"	"9,987,154"	"10,839,763"	"2,658,224"	"11,447,309"	"9,721,852"	"11,334,833"	"10,935,361"	"2,277,898"
2300	"sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*"	Lipid	Sphingolipid Metabolism	48493	LC/MS Pos Late	100006295	2666	785.65311			29368329		HMDB12104	"68,466,696"	"40,789,136"	"63,605,456"	"92,251,496"	"82,681,768"	"47,856,132"	"62,539,536"	"87,779,712"	"68,416,752"	"65,835,512"	"62,138,156"	"73,954,728"	"90,312,968"	"92,468,168"	"52,556,592"	"93,647,360"	"74,608,152"	"99,004,712"	"88,402,600"	"45,868,592"
2317	"sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*"	Lipid	Sphingolipid Metabolism	57477	LC/MS Pos Late	100006296	2209	783.63746						"2,351,010"	"1,350,951"	"1,938,410"	"3,051,598"	"2,042,411"	"1,049,305"	"1,455,561"	"2,719,962"	"1,683,364"	"1,831,978"	"1,636,771"	"1,760,642"	"2,587,335"	"2,555,704"	"1,245,801"	"2,270,108"	"1,776,896"	"2,313,558"	"2,426,067"	"1,508,024"
2302	"sphingomyelin (d18:1/24:1, d18:2/24:0)*"	Lipid	Sphingolipid Metabolism	47153	LC/MS Pos Late	100005986	3033	813.68441	94359-13-4		24846874		HMDB12107	"270,865,280"	"122,982,496"	"228,763,088"	"377,156,672"	"306,730,752"	"131,736,448"	"230,431,008"	"360,815,232"	"246,882,080"	"283,571,872"	"256,024,368"	"297,793,792"	"370,045,056"	"359,961,792"	"159,693,120"	"374,969,568"	"300,214,912"	"374,034,176"	"328,614,176"	"137,134,192"
2316	"sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*"	Lipid	Sphingolipid Metabolism	57478	LC/MS Pos Late	100015792	3220	829.71571			24846885			"3,482,665"	"1,648,188"	"2,950,359"	"4,529,780"	"3,683,958"	"1,668,141"	"2,551,704"	"3,773,815"	"2,986,741"	"2,788,714"	"2,544,494"	"3,582,548"	"3,606,599"	"3,120,137"	"2,158,224"	"3,998,774"	"2,320,415"	"3,995,075"	"3,974,463"	"2,033,916"
2292	"sphingomyelin (d18:2/14:0, d18:1/14:1)*"	Lipid	Sphingolipid Metabolism	47154	LC/MS Pos Late	100005985	1860	673.5279						"1,258,066"	"1,096,867"	"1,600,993"	"2,032,493"	"1,304,644"	"1,007,342"	"1,143,205"	"1,920,757"	"1,390,709"	"1,460,048"	"1,243,667"	"1,235,309"	"1,834,574"	"1,897,462"	"1,214,170"	"1,845,116"	"1,837,558"	"2,077,028"	"1,870,650"	"1,028,912"
2294	"sphingomyelin (d18:2/16:0, d18:1/16:1)*"	Lipid	Sphingolipid Metabolism	42459	LC/MS Pos Late	100004329	2002	701.5592						"119,018,936"	"111,017,632"	"138,897,184"	"161,982,000"	"125,170,880"	"105,650,680"	"110,168,856"	"150,347,424"	"107,406,992"	"128,002,592"	"115,770,832"	"118,583,760"	"134,781,184"	"146,217,072"	"120,090,120"	"142,957,984"	"136,933,872"	"159,280,624"	"151,326,272"	"109,684,168"
2321	sphingomyelin (d18:2/18:1)*	Lipid	Sphingolipid Metabolism	57474	LC/MS Pos Late	100015788	1904	727.57485						"546,275"	"287,093"	"605,925"	"266,125"	"460,927"	"108,450"	"316,179"	"544,259"		"238,729"	"360,583"		"240,003"	"259,381"		"197,409"	"552,792"	"311,980"	"343,022"	
2311	"sphingomyelin (d18:2/21:0, d16:2/23:0)*"	Lipid	Sphingolipid Metabolism	57480	LC/MS Pos Late	100015790	2330	771.63748						"2,303,581"	"992,359"	"1,846,801"	"3,138,932"	"2,643,861"	"1,132,947"	"1,637,859"		"2,072,898"	"2,142,988"	"1,784,139"	"2,128,627"	"3,074,759"	"2,976,152"	"1,654,360"	"2,921,057"	"2,298,158"	"2,856,233"	"2,632,637"	"1,128,503"
2301	"sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*"	Lipid	Sphingolipid Metabolism	52435	LC/MS Pos Late	100008956	2845	799.66868						"26,004,472"	"11,274,898"	"28,850,092"	"42,627,896"	"34,378,108"	"18,851,272"	"28,350,022"	"26,925,514"	"39,574,636"	"33,666,704"	"27,379,572"	"31,462,248"	"40,761,800"	"47,528,252"	"22,462,078"	"49,880,892"	"40,559,180"	"47,855,116"	"43,824,720"	"15,697,398"
2310	sphingomyelin (d18:2/23:1)*	Lipid	Sphingolipid Metabolism	57482	LC/MS Pos Late	100015791	2315	797.65308						"5,812,959"	"3,745,833"	"5,679,709"	"7,516,583"	"5,413,826"	"3,878,825"	"4,199,058"	"6,188,511"	"4,704,630"	"4,958,460"	"4,824,785"	"4,984,314"	"6,036,427"	"6,152,104"	"4,392,995"	"6,264,263"	"4,916,618"	"6,438,117"	"5,987,275"	"4,004,075"
2303	"sphingomyelin (d18:2/24:1, d18:1/24:2)*"	Lipid	Sphingolipid Metabolism	52437	LC/MS Pos Late	100008957	2635	811.66868						"123,609,656"	"89,044,392"	"126,031,392"	"165,403,856"	"129,537,424"	"93,358,664"	"103,867,176"	"138,919,904"	"109,314,120"	"113,835,992"	"105,919,264"	"122,600,560"	"138,942,784"	"144,633,424"	"100,708,984"	"146,904,160"	"117,484,952"	"154,713,472"	"145,797,040"	"90,767,896"
2313	sphingomyelin (d18:2/24:2)*	Lipid	Sphingolipid Metabolism	57479	LC/MS Pos Late	100015789	2215	809.65308						"3,456,278"	"3,015,371"	"3,098,153"	"4,432,903"	"2,807,638"	"2,248,550"	"1,379,433"	"3,346,415"	"2,108,943"	"2,047,883"	"2,507,117"	"3,226,862"	"3,154,406"	"2,801,224"	"2,709,844"	"3,036,380"	"2,104,796"	"3,151,965"	"3,303,998"	"2,582,520"
2306	sphingosine	Lipid	Sphingolipid Metabolism	17747	LC/MS Pos Late	297	1393	300.28971	123-78-4	5353955	4510275	C00319	HMDB00252	"18,717,904"	"14,412,384"	"27,674,066"	"26,969,848"	"31,191,188"	"26,342,432"	"35,562,212"	"31,016,862"	"27,006,944"	"35,219,964"	"22,828,184"	"23,670,308"	"34,939,936"	"39,189,552"	"31,608,912"	"42,530,356"	"45,161,984"	"44,288,088"	"37,178,360"	"26,926,088"
1132	stearate (18:0)	Lipid	Long Chain Fatty Acid	1358	LC/MS Neg	439	5872	283.26425	57-11-4	5281	5091	C01530	HMDB00827	"1,600,983,168"	"509,967,104"	"720,978,624"	"757,960,128"	"1,260,703,232"	"659,890,944"	"746,583,616"	"1,852,726,400"	"619,417,024"	"617,111,680"	"690,511,104"	"1,438,391,040"	"775,231,168"	"1,405,021,056"	"1,099,589,504"	"682,394,432"	"845,958,016"	"674,533,504"	"1,247,042,432"	"509,145,952"
1564	stearoyl ethanolamide	Lipid	Endocannabinoid	38625	LC/MS Pos Late	100002254	1787	328.32101	111-57-9	27902	25958		HMDB13078	"748,381"	"860,488"	"896,283"	"1,034,107"	"872,136"	"758,502"	"857,980"	"874,776"	"791,858"	"768,408"	"801,545"	"898,008"	"1,050,015"	"1,182,189"	"1,068,344"	"1,137,198"	"1,496,802"	"1,306,901"	"1,140,624"	"1,111,488"
2286	stearoyl sphingomyelin (d18:1/18:0)	Lipid	Sphingolipid Metabolism	19503	LC/MS Pos Late	1538	2400	731.60615	85187-10-6;85187-10-6	6453725	4956085	C00550	HMDB01348	"16,265,688"	"12,527,025"	"14,255,116"	"18,483,976"	"17,333,898"	"12,870,368"	"13,948,297"	"19,458,884"	"13,558,514"	"13,475,710"	"13,475,470"	"15,659,495"	"16,653,992"	"18,487,732"	"13,899,133"	"16,833,248"	"14,421,784"	"22,369,284"	"20,468,880"	"13,140,776"
2237	stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*	Lipid	Diacylglycerol	57450	LC/MS Pos Late	100010949	3404	662.57181						"1,952,944"	"1,982,386"	"1,781,640"	"2,321,430"	"1,672,252"	"1,920,983"	"1,872,868"	"1,812,787"	"1,396,280"	"1,626,396"	"1,148,432"	"1,005,788"	"1,316,766"	"1,508,112"	"1,419,322"	"1,461,876"	"1,903,818"	"1,540,839"	"1,351,355"	"1,101,434"
2238	stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*	Lipid	Diacylglycerol	57449	LC/MS Pos Late	100010950	3522	662.57181						"12,564,685"	"7,065,585"	"9,367,391"	"13,395,555"	"12,394,105"	"7,920,320"	"7,554,578"	"11,177,154"	"8,849,163"	"9,878,084"	"6,069,215"	"7,251,724"	"9,373,434"	"9,754,841"	"6,102,244"	"11,685,089"	"11,915,619"	"12,381,308"	"9,909,759"	"5,765,263"
2244	stearoyl-docosahexaenoyl-glycerol (18:0/22:6) [2]*	Lipid	Diacylglycerol	57368	LC/MS Pos Late	100015617	3256	686.57181						"449,971"	"347,661"	"478,331"	"562,283"	"415,148"	"346,094"	"341,049"	"410,491"	"318,001"	"469,778"	"235,538"	"233,719"	"200,153"	"254,443"	"184,130"	"312,763"	"426,750"	"403,558"	"219,927"	"207,775"
2221	stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*	Lipid	Diacylglycerol	54947	LC/MS Pos Late	100010921	3762	638.57181						"9,573,125"	"8,005,624"	"8,942,193"	"10,776,236"	"9,449,418"	"6,595,101"	"7,081,533"	"7,743,077"	"8,407,655"	"8,771,532"	"6,357,761"	"6,926,025"	"6,760,334"	"6,528,760"	"6,923,321"	"9,767,627"	"8,424,987"	"8,560,556"	"8,136,140"	"6,317,495"
1361	stearoylcarnitine (C18)	Lipid	Fatty Acid Metabolism(Acyl Carnitine)	34409	LC/MS Pos Late	100001391	1485	428.37344	18822-91-8	6426855	21233653		HMDB00848	"1,268,759"	"1,704,998"	"1,944,250"	"1,850,573"	"1,241,540"	"1,469,105"	"1,163,638"	"1,779,431"	"2,268,025"	"5,160,641"	"2,513,358"	"1,632,047"	"1,542,165"	"1,717,879"	"2,676,652"	"2,322,206"	"2,766,535"	"3,836,760"	"3,196,799"	"5,561,681"
1408	stearoylcholine*	Lipid	Fatty Acid Metabolism (Acyl Choline)	57464	LC/MS Pos Late	100015759	1520	370.36797							"272,449"	"146,977"	"210,146"			"138,640"	"177,962"	"194,701"	"206,100"	"254,554"	"142,688"	"165,130"	"152,400"	"194,784"	"173,632"	"175,964"	"242,807"	"186,495"	"198,997"
1077	succinate	Energy	TCA Cycle	1437	LC/MS Polar	252	3149	117.01933	110-15-6	1110	1078	C00042	HMDB00254	"32,135,490"	"54,013,932"	"49,143,132"	"44,986,668"	"68,687,000"	"50,497,280"	"65,999,100"	"46,076,680"	"62,353,044"	"62,853,888"	"46,405,764"	"39,968,196"	"32,952,104"	"30,990,228"	"31,155,164"	"36,971,152"	"24,221,244"	"31,378,424"	"27,883,778"	"35,671,672"
1076	succinylcarnitine (C4-DC)	Energy	TCA Cycle	37058	LC/MS Pos Early	100001948	2291	262.12852	256928-74-2	71464481	28639166		HMDB61717	"655,819"	"352,829"	"872,293"	"725,354"	"906,432"	"808,337"	"1,271,674"	"741,903"	"817,978"	"773,902"	"692,547"	"693,278"	"610,039"	"719,692"	"715,000"	"733,113"	"639,468"	"518,161"	"591,048"	"366,355"
969	sucrose	Carbohydrate	Disaccharides and Oligosaccharides	1519	LC/MS Polar	935	3092	387.11442	57-50-1	5988	5768	C00089	HMDB00258	"2,689,530"	"2,575,269"	"3,485,872"	"3,620,236"	"2,849,063"	"3,061,553"	"3,219,834"	"2,986,675"	"3,575,548"	"3,204,031"	"3,465,733"	"3,126,288"	"2,677,619"	"2,226,258"	"2,174,877"	"2,513,250"	"2,133,813"	"2,304,796"	"2,167,006"	"1,962,059"
4463	sulfate*	Xenobiotics	Chemical	46960	LC/MS Neg	100002528	616	96.9601	14808-79-8	1118	1086	C00059	HMDB01448	"11,010,697"	"11,970,894"	"12,997,025"	"12,126,463"	"10,445,954"	"12,005,702"	"13,941,049"	"11,773,511"	"10,059,946"	"11,793,998"	"13,546,178"	"12,194,234"	"11,369,437"	"9,616,730"	"11,381,054"	"12,648,152"	"10,470,934"	"10,191,895"	"9,985,000"	"9,732,176"
339	taurine	Amino Acid	"Methionine, Cysteine, SAM and Taurine Metabolism"	2125	LC/MS Pos Early	512	660	126.02195	107-35-7	1123	1091	C00245	HMDB00251	"78,268,976"	"139,786,432"	"125,152,592"	"77,584,840"	"47,417,228"	"187,440,048"	"115,163,200"	"53,218,860"	"72,181,824"	"100,311,040"	"37,224,104"	"26,848,258"	"49,512,096"	"55,251,692"	"158,646,944"	"54,024,848"	"52,074,016"	"48,453,588"	"51,045,384"	"155,709,472"
2608	taurochenodeoxycholate	Lipid	Primary Bile Acid Metabolism	18494	LC/MS Neg	1629	5250	498.28948	6009-98-9	387316	343282	C05465	HMDB00951	"837,214"	"164,894"	"784,813"	"464,017"	"2,249,101"	"1,250,053"	"2,798,004"	"1,281,258"	"1,401,085"	"897,079"	"1,006,119"	"927,246"	"3,055,628"	"2,436,495"	"1,213,419"	"2,938,142"	"2,135,943"	"1,752,445"	"1,773,484"	"391,420"
2652	taurocholenate sulfate	Lipid	Secondary Bile Acid Metabolism	32807	LC/MS Neg	100001990	4750	279.61422						"77,581"	"40,130"	"84,615"	"86,462"	"157,619"	"105,504"	"210,854"	"131,616"	"197,932"	"63,309"	"69,838"	"28,432"	"191,076"	"322,392"	"118,124"	"101,905"	"353,887"	"129,295"	"151,674"	
2623	taurodeoxycholate	Lipid	Secondary Bile Acid Metabolism	12261	LC/MS Neg	1668	5257.4	498.28948	207737-97-1	2733768	2015539	C05463	HMDB00896	"177,427"		"74,649"	"47,556"	"183,471"	"102,326"	"205,629"	"94,903"	"153,359"	"128,401"	"128,197"	"114,470"	"171,950"	"281,786"	"127,627"	"232,421"	"134,244"	"166,612"	"165,834"	
2630	taurolithocholate 3-sulfate	Lipid	Secondary Bile Acid Metabolism	36850	LC/MS Neg	100001658	5026.7	280.62205	64936-83-0	440071	389078	C03642	HMDB02580	"61,752"	"24,873"	"71,329"	"60,007"	"72,030"	"50,488"	"104,376"	"63,595"	"165,474"	"24,956"	"31,414"		"90,104"	"152,217"	"37,311"	"30,154"	"134,727"	"65,154"	"84,629"	
3472	thiamin (Vitamin B1)	Cofactors and Vitamins	Thiamine Metabolism	5341	LC/MS Pos Early	873	3050	265.11176	59-43-8	1130		C00378	HMDB00235	"9,864,499"	"6,786,998"	"8,809,988"	"10,716,196"	"11,926,969"	"7,622,621"	"11,293,713"	"12,255,517"	"10,881,005"	"9,926,538"	"9,296,488"	"10,600,102"	"11,433,392"	"9,999,764"	"7,346,227"	"13,063,483"	"8,219,428"	"10,074,176"	"10,503,795"	"6,613,502"
3474	thiamin diphosphate	Cofactors and Vitamins	Thiamine Metabolism	35670	LC/MS Neg	522	1195.1	423.02986	154-87-0	1132	8715	C00068	HMDB01372	"273,706"	"170,641"	"257,139"	"237,589"	"330,119"	"241,778"	"257,253"	"259,547"	"321,162"	"224,987"	"185,803"	"202,542"	"300,823"	"291,941"	"249,868"	"222,180"	"256,602"	"241,212"	"232,587"	"146,616"
3473	thiamin monophosphate	Cofactors and Vitamins	Thiamine Metabolism	15798	LC/MS Pos Early	523	2378	345.07809	532-40-1	3382778	2627905	C01081	HMDB02666	"142,553"		"327,542"	"354,889"			"481,241"	"296,207"	"348,513"		"341,736"	"472,913"	"364,117"	"281,390"	"212,693"	"464,838"	"384,705"	"473,783"	"755,219"	"344,567"
4600	thioproline	Xenobiotics	Chemical	53231	LC/MS Pos Early	100009232	1250	134.02703	34592-47-4	93176	84120			"31,352,266"	"30,801,462"	"32,965,508"	"34,530,832"	"26,037,642"	"32,596,526"	"29,956,184"	"28,732,192"	"28,074,232"	"25,988,064"	"24,473,916"	"27,928,242"	"23,410,778"	"24,504,756"	"27,583,824"	"27,443,146"	"22,015,532"	"24,511,946"	"27,274,164"	"24,410,308"
3417	threonate	Cofactors and Vitamins	Ascorbate and Aldarate Metabolism	27738	LC/MS Polar	100001022	2384	135.02989	70753-61-6	151152	133224	C01620	HMDB00943	"2,491,237"	"2,095,275"	"3,175,163"	"2,735,723"	"1,718,939"	"2,568,718"	"2,992,589"	"2,323,071"	"2,337,815"	"2,336,500"	"2,015,118"	"2,004,939"	"2,170,559"	"2,309,692"	"2,207,972"	"2,744,231"	"2,571,896"	"3,126,939"	"2,935,613"	"2,476,290"
16	threonine	Amino Acid	"Glycine, Serine and Threonine Metabolism"	1284	LC/MS Pos Early	564	1514	120.06552	72-19-5	6288	6051	C00188	HMDB00167	"951,242,688"	"721,063,104"	"948,180,864"	"968,768,832"	"895,252,864"	"732,569,536"	"722,396,608"	"934,023,808"	"881,507,904"	"828,646,400"	"620,085,888"	"688,873,216"	"700,911,808"	"801,819,840"	"634,238,016"	"897,525,504"	"775,761,408"	"888,833,792"	"969,341,952"	"649,554,624"
739	threonylalanine	Peptide	Dipeptide	42052	LC/MS Pos Early	100003532	2196	191.10264	56217-50-6	18218243	16568385		HMDB29054	"5,349,290"	"2,936,306"	"4,465,261"	"4,774,087"	"5,370,714"	"3,616,872"	"3,212,310"	"4,412,919"	"4,667,206"	"4,206,491"	"3,349,793"	"3,956,106"	"5,275,472"	"5,044,496"	"3,931,823"	"5,958,443"	"4,204,895"	"5,442,524"	"5,937,296"	"3,604,774"
740	threonylarginine	Peptide	Dipeptide	42078	LC/MS Pos Early	100003540	3011	276.16663	13448-26-5	9900215	8075870			"842,089"	"572,489"	"852,632"	"1,143,408"	"1,368,834"	"769,834"	"690,799"	"1,283,878"	"1,383,918"	"1,079,515"	"1,038,269"	"1,091,943"	"1,437,285"	"1,260,131"	"686,714"	"1,575,124"	"858,003"	"983,791"	"1,172,525"	"450,927"
741	threonylaspartate	Peptide	Dipeptide	42039	LC/MS Polar	100003537	3210	233.07791	108320-97-4	3280446	2529564			"3,837,523"	"2,895,416"	"3,954,126"	"3,929,720"	"4,151,149"	"3,715,746"	"2,981,883"	"4,295,611"	"4,580,867"	"3,179,715"	"2,231,640"	"2,620,394"	"3,133,165"	"3,076,576"	"3,145,234"	"4,323,147"	"4,229,470"	"4,890,979"	"4,805,997"	"3,809,328"
744	threonylglycine	Peptide	Dipeptide	42051	LC/MS Polar	100003531	2115	175.07243	686-44-2		10466256			"2,880,686"	"1,378,961"	"2,798,229"	"3,188,979"	"2,646,071"	"1,564,882"	"1,539,623"	"2,270,061"	"3,109,219"	"1,831,997"	"1,132,031"		"3,443,188"	"2,150,032"	"1,478,110"	"2,952,123"	"2,828,418"	"3,654,369"	"3,624,194"	"1,754,040"
745	threonylisoleucine	Peptide	Dipeptide	42972	LC/MS Pos Early	100003203	2996	233.14959			16568391			"1,563,793"	"706,792"	"1,680,632"	"1,907,876"	"1,895,905"	"1,287,315"	"1,219,455"	"1,576,140"	"1,926,150"	"1,933,996"	"1,496,824"	"1,415,583"	"1,869,225"	"943,023"	"1,346,543"	"1,817,708"	"1,199,150"	"1,528,379"	"1,643,118"	"548,863"
746	threonylleucine	Peptide	Dipeptide	40051	LC/MS Pos Early	100003204	3057	233.14959	50299-12-2	4420322	3620711			"934,559"	"453,987"	"974,619"	"1,125,316"	"891,180"	"617,359"	"405,222"	"939,109"	"1,246,190"	"1,112,642"	"722,028"	"796,859"	"595,681"	"795,081"	"679,107"	"1,322,463"	"688,160"	"1,088,370"	"1,065,624"	"371,331"
747	threonyllysine	Peptide	Dipeptide	54760	LC/MS Polar	100009317	3795	246.14593			16239835			"209,668"	"179,141"	"231,634"	"392,407"	"320,189"	"359,025"	"168,855"	"305,062"	"377,127"	"320,886"	"209,480"	"314,608"	"224,946"	"262,021"	"272,923"	"559,735"	"264,969"	"313,706"	"406,600"	"292,790"
748	threonylmethionine	Peptide	Dipeptide	42068	LC/MS Pos Early	100003535	2740	251.10601	90729-28-5	7020165	16568393			"422,144"	"206,254"	"486,197"	"548,745"	"381,868"	"275,877"	"289,306"	"421,424"	"319,801"	"327,900"	"170,358"	"189,564"	"397,906"	"369,534"	"291,007"	"556,238"	"310,883"	"434,811"	"385,894"	"202,798"
749	threonylphenylalanine	Peptide	Dipeptide	31530	LC/MS Pos Early	100001125	3077	267.13394	16875-27-7	4099799	3313819		HMDB29068	"426,328"	"262,560"	"598,645"	"529,707"	"293,435"	"570,074"	"174,514"	"422,016"	"257,688"	"184,201"		"77,026"	"234,724"	"246,542"	"371,110"	"571,764"	"248,020"	"201,024"	"279,633"	
750	threonylproline	Peptide	Dipeptide	42005	LC/MS Pos Early	100003536	2448	217.11829	281670-51-7		16568394			"12,036,924"	"8,461,260"	"10,112,846"	"10,719,035"	"12,287,671"	"10,682,963"	"6,630,749"	"12,092,576"	"8,962,039"	"7,660,644"	"5,119,936"	"7,270,952"	"6,534,104"	"6,903,177"	"8,264,428"	"10,970,357"	"9,324,063"	"11,035,114"	"12,191,470"	"8,496,197"
751	threonylserine	Peptide	Dipeptide	41995	LC/MS Pos Early	100003533	1902	207.09755	61043-86-5	4578035	3770715			"511,524"	"192,360"	"311,177"	"355,840"	"375,924"	"193,561"		"539,388"	"411,795"	"252,295"	"259,635"	"505,126"	"567,286"	"486,525"		"642,331"	"317,417"	"456,267"	"771,471"	
753	threonylvaline	Peptide	Dipeptide	42011	LC/MS Pos Early	100003534	2741	219.13394	99032-17-4	416721;4278432	368896			"878,827"	"585,733"	"744,987"	"940,712"	"717,202"	"619,778"	"530,539"	"815,109"	"1,581,609"	"1,888,258"	"1,200,971"	"1,205,623"	"882,319"	"960,238"	"678,494"	"998,405"	"684,097"	"1,006,486"	"952,218"	"634,567"
3361	thymidine 5'-monophosphate	Nucleotide	"Pyrimidine Metabolism, Thymine containing"	12023	LC/MS Neg	1248	883	321.04933	33430-62-5	9700	10239189	C00364	HMDB01227	"28,302"	"102,501"	"144,681"	"161,350"	"126,542"	"72,440"	"188,203"	"144,214"	"190,166"	"71,011"	"63,266"	"31,114"	"122,517"	"195,049"	"63,330"	"52,153"		"41,964"	"33,867"	
3366	thymine	Nucleotide	"Pyrimidine Metabolism, Thymine containing"	604	LC/MS Neg	882	1654	125.03565	65-71-4	1135	1103	C00178	HMDB00262	"134,599"	"74,259"	"114,845"	"67,921"	"55,954"		"96,826"	"56,686"		"100,871"	"97,671"	"75,281"	"102,291"		"133,393"	"69,117"	"117,123"	"95,920"	"137,215"	"102,071"
286	tiglylcarnitine (C5:1-DC)	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	35428	LC/MS Pos Early	100001597	2962	244.15434	64191-86-2	22833596	17216200		HMDB02366	"937,873"	"589,655"	"1,251,430"	"1,048,947"	"650,472"	"1,052,569"	"1,327,431"	"749,156"	"1,011,263"	"1,166,248"	"684,495"	"575,408"	"1,032,239"	"689,164"	"1,115,194"	"911,804"	"671,498"	"1,251,455"	"986,982"	"1,034,146"
368	trans-4-hydroxyproline	Amino Acid	Urea cycle; Arginine and Proline Metabolism	32306	LC/MS Pos Early	1001	1064	132.06552	51-35-4	5810	5605	C01157	HMDB00725	"6,642,766"	"5,998,690"	"5,201,086"	"6,519,323"	"6,494,050"	"4,854,678"	"5,125,675"	"6,016,371"	"5,906,672"	"5,305,506"	"6,215,756"	"6,788,444"	"5,641,326"	"5,239,174"	"3,973,131"	"4,518,606"	"3,789,473"	"4,266,474"	"4,258,532"	"3,855,365"
2288	tricosanoyl sphingomyelin (d18:1/23:0)*	Lipid	Sphingolipid Metabolism	52436	LC/MS Pos Late	100008955	3200	801.68441					HMDB12105	"19,152,588"	"12,937,885"	"15,964,445"	"30,404,068"	"21,400,156"	"10,137,586"	"14,429,280"	"26,738,818"	"19,920,972"	"21,155,264"	"16,315,370"	"22,197,726"	"24,347,382"	"23,900,300"	"9,989,260"	"27,079,290"	"21,894,332"	"27,454,298"	"22,354,508"	"9,622,320"
3394	trigonelline (N'-methylnicotinate)	Cofactors and Vitamins	Nicotinate and Nicotinamide Metabolism	32401	LC/MS Pos Early	100001092	1388	138.05496	535-83-1	5570	5369	C01004	HMDB00875	"83,809,168"	"23,739,000"	"86,289,216"	"101,411,472"	"116,121,128"	"52,693,716"	"140,805,776"	"97,011,640"	"144,887,120"	"94,141,184"	"55,480,872"	"51,028,672"	"128,471,040"	"132,521,760"	"51,525,240"	"139,304,272"	"77,060,856"	"79,679,744"	"73,344,960"	"32,695,530"
1629	trimethylamine N-oxide	Lipid	Phospholipid Metabolism	40406	LC/MS Pos Early	100003397	2100	76.07569	1184-78-7	1145	1113	C01104	HMDB00925	"1,203,878"	"895,810"	"1,449,783"	"1,184,898"	"1,467,725"	"1,442,630"	"1,582,413"	"1,458,939"	"2,069,700"	"1,909,229"	"901,502"	"904,908"	"1,309,291"	"1,451,393"	"1,391,061"	"1,557,239"	"1,026,957"	"1,002,549"	"1,199,120"	"993,513"
197	tryptophan	Amino Acid	Tryptophan Metabolism	54	LC/MS Pos Early	565	2986	205.09716	73-22-3	6305	6066	C00078	HMDB00929	"374,439,392"	"295,133,248"	"360,766,048"	"353,181,888"	"278,897,632"	"288,585,024"	"275,488,448"	"268,000,576"	"231,396,768"	"265,544,368"	"201,189,552"	"192,798,208"	"221,495,120"	"219,589,408"	"250,963,872"	"270,237,024"	"243,892,064"	"251,987,696"	"269,896,736"	"278,948,256"
754	tryptophylalanine	Peptide	Dipeptide	41396	LC/MS Pos Early	100003610	2951	276.13427	24046-71-7	263475	231457			"340,966"	"250,974"	"331,338"	"299,542"	"399,910"	"382,118"	"106,000"	"416,645"	"329,697"	"372,195"	"130,783"	"162,567"	"266,364"	"244,219"	"412,368"	"413,383"	"359,720"	"490,876"	"472,114"	"499,651"
756	tryptophylasparagine	Peptide	Dipeptide	40661	LC/MS Neg	100003620	2320	317.12553	175027-11-9	18218248	16568398		HMDB29078	"53,824"	"34,509"	"45,170"	"50,947"	"56,996"	"19,949"	"21,375"	"57,060"	"47,454"	"61,156"			"31,046"	"40,858"	"34,026"	"88,170"	"69,244"	"66,299"	"59,997"	"84,189"
759	tryptophylglycine	Peptide	Dipeptide	43028	LC/MS Neg	100003609	2481	260.10406	7360-09-0	263471	231453		HMDB29083	"163,968"	"157,842"	"145,046"	"215,746"	"212,296"	"171,778"	"94,927"	"192,327"	"298,447"	"107,902"	"59,754"	"96,627"	"168,113"	"267,140"	"132,772"	"199,185"	"390,943"	"293,430"	"319,354"	"112,492"
762	tryptophyllysine	Peptide	Dipeptide	41400	LC/MS Pos Early	100003621	3227	333.19212	51790-14-8	6452501	13747764						"83,134"				"205,151"	"87,869"							"138,126"		"101,356"	"210,281"	
766	tryptophylserine	Peptide	Dipeptide	41967	LC/MS Neg	100003611	2385	290.11463	133101-40-3		10441745			"74,131"	"57,068"	"67,065"	"78,888"	"68,472"	"49,390"	"39,539"	"73,336"	"112,844"	"49,024"	"18,717"	"34,793"	"73,274"	"71,313"	"44,565"	"73,506"	"151,835"	"121,692"	"126,487"	"47,650"
767	tryptophylthreonine	Peptide	Dipeptide	54777	LC/MS Neg	100009321	2650	304.13028			15898996		HMDB29093	"125,508"	"128,848"	"121,988"	"95,039"	"146,149"	"83,934"	"60,330"	"157,661"	"136,793"	"75,453"	"29,595"	"90,634"	"114,402"	"155,666"	"111,581"	"154,116"	"311,988"	"230,536"	"213,729"	"99,132"
770	tryptophylvaline	Peptide	Dipeptide	41447	LC/MS Neg	100003612	3463	302.15101	24613-12-5	7009658	5373237			"62,272"	"66,697"	"65,627"	"56,605"	"62,679"	"54,702"	"17,119"	"69,837"	"71,435"	"39,740"		"12,438"	"45,945"	"77,058"	"35,572"	"59,312"	"103,696"	"84,093"	"80,257"	"27,001"
125	tyrosine	Amino Acid	Tyrosine Metabolism	1299	LC/MS Pos Early	815	2430	182.08117	60-18-4	6057	5833	C00082	HMDB00158	"755,369,792"	"585,268,288"	"658,933,568"	"765,413,440"	"637,690,944"	"614,457,856"	"565,604,928"	"630,076,160"	"544,987,008"	"495,937,152"	"420,156,000"	"491,107,392"	"506,913,504"	"542,849,728"	"557,705,024"	"596,691,840"	"531,404,928"	"661,161,920"	"697,704,192"	"491,664,096"
771	tyrosylalanine	Peptide	Dipeptide	40018	LC/MS Neg	100003254	1821	251.10373	730-08-5	5496455	4593326			"287,446"	"383,071"	"316,921"	"304,168"	"447,096"	"657,960"	"323,938"	"451,222"	"792,014"	"571,754"	"462,984"	"584,330"	"465,174"	"698,528"	"446,054"	"758,818"	"762,510"	"614,959"	"678,072"	"621,791"
772	tyrosylarginine	Peptide	Dipeptide	42955	LC/MS Pos Early	100002091	3072	338.1823		2932	2829				"81,451"	"143,491"		"197,711"	"140,403"		"271,620"	"171,445"	"271,147"	"166,947"	"219,692"	"189,027"	"97,960"		"281,612"	"142,898"	"195,077"	"365,936"	
773	tyrosylglutamate	Peptide	Dipeptide	42953	LC/MS Pos Early	100003251	2410	311.12377		7009628	14526366			"1,739,976"	"1,193,008"	"1,353,138"	"1,710,029"	"1,773,319"	"1,720,640"	"1,347,145"	"1,748,885"	"1,339,936"	"1,389,511"	"835,144"	"950,525"	"1,294,379"	"1,275,882"	"1,568,795"	"1,696,920"	"1,668,882"	"1,866,409"	"2,140,881"	"1,700,236"
774	tyrosylglutamine	Peptide	Dipeptide	41459	LC/MS Neg	100003606	1612	308.12519	28252-40-6		14129234			"98,536"	"118,478"	"95,039"	"128,657"	"131,345"	"95,636"	"38,322"	"139,370"	"152,235"	"112,163"	"82,784"	"87,426"	"116,319"	"153,577"	"106,678"	"189,083"	"184,263"	"174,468"	"164,890"	"149,631"
775	tyrosylglycine	Peptide	Dipeptide	41375	LC/MS Neg	100003598	1635	237.08808	673-05-5	259323	227627		HMDB29105	"1,808,960"	"1,862,290"	"1,639,677"	"3,152,456"	"2,039,358"	"2,206,154"	"1,214,060"	"1,959,410"	"3,654,829"	"1,348,238"	"1,035,305"	"1,151,243"	"1,823,728"	"2,986,087"	"1,578,782"	"2,223,023"	"3,556,613"	"2,736,065"	"2,903,188"	"1,349,667"
776	tyrosylhistidine	Peptide	Dipeptide	41464	LC/MS Neg	100003607	1787	317.12553	3788-44-1		16568403			"33,662"	"23,085"	"18,525"	"53,414"	"38,590"	"37,179"	"17,877"	"37,170"	"50,471"	"17,620"	"27,262"		"63,264"	"76,822"	"29,855"	"44,669"	"81,647"	"73,329"	"74,750"	"28,997"
778	tyrosylleucine	Peptide	Dipeptide	40031	LC/MS Pos Early	100003208	3126	295.16524	17355-10-1	87071	78540			"513,701"	"295,661"	"376,547"	"461,161"	"355,970"	"445,323"	"208,445"	"446,985"	"343,401"	"321,102"	"116,911"	"229,684"	"319,054"	"283,872"	"320,935"	"439,426"	"377,902"	"346,331"	"494,078"	"282,075"
779	tyrosyllysine	Peptide	Dipeptide	40656	LC/MS Neg	100003608	1735	308.16158	54925-88-1		14361332			"54,462"	"48,529"	"44,127"	"73,108"	"63,534"	"71,440"	"19,270"	"51,782"	"48,343"	"29,567"	"33,602"	"42,964"	"102,638"	"114,783"	"27,298"	"62,511"	"82,078"	"82,878"	"82,443"	"32,164"
780	tyrosylphenylalanine	Peptide	Dipeptide	41492	LC/MS Neg	100003601	3335	327.13503	17355-11-2	3421919	2665517			"183,384"	"134,063"	"173,983"	"205,606"	"183,560"	"221,365"	"105,469"	"186,768"	"337,515"	"182,596"	"92,615"	"113,327"	"203,573"	"243,700"	"166,125"	"510,909"	"253,147"	"221,146"	"239,322"	"155,981"
781	tyrosylproline	Peptide	Dipeptide	54772	LC/MS Pos Early	100009323	2720	279.13394	821776-10-7		10441210		HMDB29113	"2,101,245"	"1,553,804"	"2,044,245"	"2,161,066"	"1,387,342"	"1,277,077"	"925,560"	"1,153,514"	"1,088,550"	"1,559,814"	"792,751"	"944,048"	"1,069,912"	"1,163,593"	"1,106,911"	"1,577,526"	"1,795,222"	"1,407,942"	"1,431,254"	"1,530,871"
808	tyrosylserine	Peptide	Dipeptide	54767	LC/MS Neg	100009324	1548	267.09864			16568406			"372,033"	"462,372"	"376,340"	"529,714"	"603,472"	"499,657"	"416,705"	"586,602"	"1,039,758"	"447,090"	"323,382"	"410,781"	"705,109"	"1,096,033"	"405,719"	"627,607"	"1,082,956"	"864,788"	"838,158"	"365,508"
782	tyrosyltryptophan	Peptide	Dipeptide	41405	LC/MS Neg	100003605	3200	366.14593	60815-41-0		16568407			"70,819"	"42,078"	"59,380"	"81,068"	"54,117"		"34,022"	"45,059"	"41,556"	"18,104"				"23,203"	"28,480"	"33,341"	"36,346"	"31,331"	"28,607"	"14,383"
783	tyrosyltyrosine	Peptide	Dipeptide	40667	LC/MS Neg	100003604	2400	343.12994	1050-28-8	5057430	4234749			"95,536"	"96,894"	"99,948"	"115,808"	"91,986"	"119,387"	"59,104"	"100,932"	"58,309"	"44,517"	"17,828"	"24,502"	"48,077"	"77,581"	"75,155"	"101,322"	"90,721"	"94,213"	"84,888"	"46,711"
784	tyrosylvaline	Peptide	Dipeptide	41424	LC/MS Neg	100003599	2626	279.13503	17355-09-8	7009560	5373139			"117,239"	"102,896"	"106,583"	"120,346"	"131,513"	"74,950"	"43,544"	"128,473"	"121,575"	"68,289"	"30,047"	"64,890"	"88,607"	"118,438"	"67,262"	"112,768"	"168,552"	"147,976"	"164,848"	"71,998"
1020	UDP-galactose	Carbohydrate	Nucleotide Sugar	15860	LC/MS Polar	100000298	4000	565.04774	2956-16-3;91183-98-1;137868-52-1	18068	17069	C00052	HMDB00302	"1,470,160"	"939,004"	"1,059,465"	"1,646,872"	"1,297,628"	"732,280"	"1,056,703"	"1,446,178"	"1,743,413"	"1,172,162"	"1,342,120"	"1,631,318"	"1,608,848"	"1,453,241"	"812,417"	"1,777,207"	"1,475,361"	"1,736,717"	"1,663,695"	"1,022,410"
1016	UDP-glucose	Carbohydrate	Nucleotide Sugar	32344	LC/MS Polar	1096	3950	565.04775	117756-22-6	8629	8308	C00029	HMDB00286	"2,560,137"	"1,910,153"	"2,412,931"	"3,171,681"	"3,107,365"	"1,642,882"	"2,314,915"	"3,823,340"	"3,874,035"	"1,894,448"	"2,950,666"	"3,067,103"	"3,060,574"	"2,772,103"	"1,624,211"	"3,066,861"	"2,659,565"	"3,211,573"	"2,554,696"	"1,955,059"
1021	UDP-glucuronate	Carbohydrate	Nucleotide Sugar	2763	LC/MS Neg	1097	588	579.02701	28053-08-9;63700-19-6	17473	16522	C00167	HMDB00935	"5,099,661"	"5,401,655"	"7,873,875"	"5,325,774"	"6,874,887"	"7,640,811"	"10,106,683"	"6,712,745"	"6,361,035"	"8,262,151"	"7,747,251"	"4,996,577"	"7,055,765"	"5,691,617"	"9,999,536"	"6,633,352"	"6,711,206"	"4,501,865"	"4,466,155"	"4,692,919"
1027	UDP-N-acetylglucosamine/galactosamine	Carbohydrate	Nucleotide Sugar	46148	LC/MS Neg	100002957	646	606.07429						"5,111,128"	"3,590,562"	"5,751,606"	"4,191,721"	"6,438,659"	"5,428,469"	"7,401,463"	"6,135,484"	"6,201,109"	"6,718,532"	"8,982,161"	"5,892,411"	"8,527,168"	"6,805,678"	"6,583,952"	"4,854,196"	"5,413,897"	"5,454,209"	"5,272,270"	"4,714,875"
3318	uracil	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	605	LC/MS Polar	825	1089.7	111.02	66-22-8	1174	1141	C00106	HMDB00300	"17,130,776"	"12,909,369"	"23,258,404"	"20,511,364"	"21,474,856"	"12,519,565"	"21,447,010"	"23,372,044"	"23,230,704"	"23,417,396"	"20,184,092"	"26,524,594"	"18,350,832"	"16,538,245"	"14,350,365"	"27,031,116"	"33,090,070"	"37,435,244"	"40,197,088"	"32,594,034"
3237	urate	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	1604	LC/MS Neg	1134	757.1	167.02106	69-93-2;120K5305	1175		C00366	HMDB00289	"1,539,928"	"537,079"	"1,004,908"	"1,086,411"	"1,361,720"	"765,853"	"1,719,002"	"1,309,375"	"1,778,891"	"1,592,395"	"1,323,546"	"969,843"	"1,887,343"	"1,842,036"	"842,814"	"1,796,699"	"1,267,964"	"1,622,983"	"1,263,483"	"797,743"
348	urea	Amino Acid	Urea cycle; Arginine and Proline Metabolism	1670	LC/MS Pos Early	533	700	121.07201	57-13-6	1176	1143	C00086	HMDB00294	"3,257,483"	"1,621,087"	"5,002,514"	"3,518,162"	"5,322,022"	"3,879,378"	"6,794,368"	"5,289,709"	"4,174,735"	"4,683,743"	"4,545,204"	"3,338,968"	"2,893,931"	"2,765,315"	"2,332,115"	"3,731,589"	"5,103,964"	"3,237,281"	"2,386,808"	"2,201,541"
3317	uridine	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	606	LC/MS Neg	535	1457.6	243.06226	58-96-8	6029	5807	C00299	HMDB00296	"39,999,540"	"39,564,700"	"39,700,440"	"50,418,056"	"42,234,040"	"38,241,240"	"48,579,160"	"39,370,124"	"46,815,660"	"48,456,164"	"63,656,244"	"42,630,244"	"35,850,968"	"46,130,544"	"28,672,540"	"43,552,460"	"59,466,880"	"37,893,584"	"42,105,388"	"46,473,344"
3314	uridine 3'-monophosphate (3'-UMP)	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	39764	LC/MS Neg	106	750	323.02899	35170-0-7;35170-03-7	101543	91753	C01368		"921,239"	"885,199"	"1,064,121"	"1,269,607"	"765,515"	"603,013"	"328,151"	"713,584"	"455,648"	"382,319"		"244,319"	"273,733"	"376,247"	"399,291"	"488,589"	"451,838"	"469,414"	"531,559"	"259,800"
3311	uridine 5'-diphosphate (UDP)	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	5345	LC/MS Neg	870	599.5	402.99492	21931-53-3	6031	5809	C00015	HMDB00295	"4,498,054"	"2,270,919"	"2,293,885"	"4,338,054"	"2,302,027"	"1,321,468"	"1,391,746"	"2,878,668"	"3,081,605"	"2,765,430"	"2,979,733"	"4,490,977"	"4,180,786"	"4,143,415"	"2,820,527"	"3,846,834"	"3,181,140"	"3,178,312"	"2,782,834"	"2,867,235"
3312	uridine 5'-monophosphate (UMP)	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	2856	LC/MS Neg	869	627	323.02859	3387-36-8	6030	1399139	C00105	HMDB00288	"4,282,508"	"13,072,315"	"16,062,610"	"8,590,512"	"16,601,507"	"18,021,140"	"18,579,898"	"12,224,950"	"18,289,280"	"21,760,992"	"13,783,652"	"5,428,151"	"12,140,453"	"13,022,064"	"15,660,354"	"14,197,354"	"6,646,536"	"5,342,451"	"2,089,676"	"2,416,396"
3310	uridine 5'-triphosphate (UTP)	Nucleotide	"Pyrimidine Metabolism, Uracil containing"	33448	LC/MS Neg	871	572	482.96126	19817-92-6	6133	5903	C00075	HMDB00285	"4,633,464"	"451,281"	"568,765"	"2,552,447"	"634,459"	"163,821"	"184,963"	"1,326,134"	"1,161,893"	"657,046"	"1,293,069"	"3,994,196"	"2,412,384"	"2,141,587"	"1,179,761"	"1,607,485"	"2,243,134"	"2,353,503"	"2,909,841"	"3,199,343"
298	valine	Amino Acid	"Leucine, Isoleucine and Valine Metabolism"	1649	LC/MS Pos Early	566	2479	118.08626	72-18-4	6287	6050	C00183	HMDB00883	"1,135,024,384"	"818,807,744"	"1,082,250,496"	"1,057,745,344"	"943,466,368"	"829,353,472"	"772,292,096"	"1,009,987,264"	"929,627,328"	"901,021,888"	"661,377,856"	"744,984,832"	"716,206,528"	"800,767,808"	"684,201,088"	"991,409,792"	"854,608,128"	"930,021,760"	"1,011,075,136"	"768,581,440"
786	valylalanine	Peptide	Dipeptide	41518	LC/MS Pos Early	100003636	2520	189.12337	27493-61-4	334517	296432		HMDB29120	"3,436,382"	"1,784,434"	"3,342,620"	"3,906,103"	"3,699,867"	"2,550,806"	"2,745,807"	"3,500,528"	"4,620,976"	"3,762,885"	"2,786,556"	"3,246,954"	"4,665,239"	"4,810,048"	"2,970,117"	"5,212,298"	"3,909,745"	"4,794,415"	"5,206,074"	"2,496,177"
787	valylarginine	Peptide	Dipeptide	42072	LC/MS Pos Early	100003637	3101	274.18737	37682-75-0	4266827	3474098			"2,227,231"	"1,215,087"	"2,469,039"	"2,822,399"	"2,303,094"	"2,128,095"	"1,289,123"	"2,894,701"	"2,553,241"	"2,425,488"	"1,080,792"	"1,041,618"	"1,955,868"	"1,996,494"	"1,782,007"	"3,519,907"	"2,153,451"	"2,570,709"	"3,081,833"	"933,315"
788	valylasparagine	Peptide	Dipeptide	40727	LC/MS Pos Early	100003638	2195	232.12919	66170-00-1	7020200	5383157			"501,815"	"259,706"	"508,935"	"575,738"	"606,904"	"373,994"	"319,164"	"555,223"	"545,068"	"469,683"	"359,545"	"265,621"	"547,899"	"574,719"	"354,487"	"804,659"	"530,306"	"757,244"	"802,786"	"226,091"
789	valylaspartate	Peptide	Dipeptide	40650	LC/MS Pos Early	100003639	2311	233.1132	20556-16-5	9964657	8140250		HMDB29123	"497,351"	"371,176"	"641,541"	"632,115"	"573,029"	"472,966"	"413,446"	"726,337"	"669,716"	"501,112"	"480,300"	"442,261"	"673,119"	"798,030"	"498,886"	"754,347"	"663,986"	"729,013"	"962,931"	"504,785"
790	valylglutamate	Peptide	Dipeptide	32454	LC/MS Pos Early	100001161	2417	247.12885	05/07/3062	7009623	5373203		HMDB29126	"1,605,378"	"969,910"	"1,563,510"	"1,676,970"	"1,925,702"	"1,318,901"	"1,171,471"	"1,698,792"	"1,686,900"	"1,449,257"	"973,371"	"1,186,866"	"1,813,532"	"1,852,442"	"1,250,272"	"1,891,058"	"1,699,124"	"2,075,890"	"2,290,540"	"1,085,981"
791	valylglutamine	Peptide	Dipeptide	42079	LC/MS Pos Early	100003640	2295	246.14484	42854-54-6	5253209	4419671		HMDB29125	"3,366,251"	"1,453,721"	"3,135,966"	"3,747,131"	"4,036,794"	"2,308,194"	"2,350,489"	"3,670,163"	"4,057,966"	"3,111,370"	"1,992,682"	"2,491,668"	"3,829,741"	"4,129,726"	"2,459,337"	"4,929,184"	"3,440,785"	"4,868,244"	"5,225,813"	"1,752,766"
792	valylglycine	Peptide	Dipeptide	40475	LC/MS Pos Early	100003641	2444	175.10772	686-43-1	136487	120256		HMDB29127	"6,513,879"	"3,876,219"	"5,490,939"	"6,953,912"	"7,401,154"	"3,526,340"	"4,364,830"	"7,317,365"	"7,294,854"	"5,385,355"	"5,041,323"	"7,031,643"	"7,129,702"	"8,202,227"	"4,431,259"	"9,227,124"	"6,105,705"	"9,576,833"	"9,896,104"	"4,663,732"
793	valylhistidine	Peptide	Dipeptide	40680	LC/MS Neg	100003642	1670	253.13061	13589-07-6		16568411		HMDB29129	"169,425"	"133,272"	"165,425"	"192,297"	"171,729"	"182,246"	"94,482"	"155,115"	"211,243"	"87,289"	"47,590"	"60,091"	"133,290"	"201,146"	"95,080"	"143,571"	"273,827"	"190,317"	"174,483"	"81,138"
795	valylleucine	Peptide	Dipeptide	39994	LC/MS Pos Early	100003210	3138	231.17032	22906-55-4	352039	312586		HMDB29131	"883,266"	"739,067"	"1,658,663"	"2,353,374"	"980,680"	"783,234"	"873,112"	"2,053,300"	"1,900,789"	"1,631,437"	"746,091"	"451,420"	"1,682,274"	"1,915,881"	"1,130,665"	"2,412,174"	"1,775,837"	"2,563,308"	"2,202,460"	"327,924"
796	valyllysine	Peptide	Dipeptide	41384	LC/MS Pos Early	100003643	3087	246.18122	22677-62-9	5253210	4419672		HMDB29132	"2,145,795"	"1,426,846"	"1,879,129"	"2,326,976"	"2,540,972"	"1,849,867"	"1,343,685"	"2,422,387"	"2,539,751"	"1,956,436"	"1,249,240"	"1,635,110"	"2,461,768"	"2,298,929"	"1,554,361"	"3,318,286"	"2,199,902"	"2,749,596"	"3,050,468"	"1,491,225"
797	valylmethionine	Peptide	Dipeptide	40674	LC/MS Pos Early	100003644	2897	249.12674	14486-09-0	292427	258048		HMDB29133	"352,197"	"154,004"	"599,150"	"676,059"	"413,340"	"360,820"	"371,749"	"540,327"	"619,875"	"537,793"	"373,700"	"229,294"	"819,041"	"831,817"	"567,178"	"799,051"	"509,889"	"929,309"	"889,278"	"197,975"
798	valylphenylalanine	Peptide	Dipeptide	40688	LC/MS Pos Early	100003645	3181	265.15467	3918-92-1	6993120	5361223			"434,488"	"256,510"	"710,646"	"784,516"	"287,540"	"265,902"		"614,012"	"520,257"	"324,898"	"52,536"		"143,041"	"264,128"	"251,769"	"679,692"	"270,978"	"488,039"	"509,015"	
799	valylproline	Peptide	Dipeptide	40485	LC/MS Pos Early	100003646	2720	215.13902	105931-64-4	5003412	4183098		HMDB29135	"12,637,307"	"8,147,182"	"11,539,000"	"11,231,647"	"10,847,445"	"9,873,677"	"6,479,527"	"10,109,514"	"7,851,078"	"8,300,106"	"4,678,028"	"5,893,494"	"7,385,087"	"6,888,898"	"7,805,041"	"11,932,864"	"8,737,627"	"9,786,985"	"10,642,170"	"9,535,334"
800	valylserine	Peptide	Dipeptide	40716	LC/MS Pos Early	100003647	2275	205.11829	15388-94-8	139506	123028		HMDB29136	"1,574,284"	"694,514"	"1,438,971"	"1,736,136"	"1,643,773"	"965,800"	"1,148,686"	"1,578,240"	"1,958,548"	"1,358,410"	"1,355,768"	"1,489,579"	"2,047,953"	"2,155,189"	"1,128,102"	"2,155,423"	"1,581,612"	"2,055,247"	"2,363,296"	"825,703"
801	valylthreonine	Peptide	Dipeptide	44543	LC/MS Pos Early	100004584	2387	219.13394	72636-02-3	4046492	3262538		HMDB29137	"2,618,319"	"1,295,486"	"2,486,251"	"2,901,234"	"2,769,392"	"1,818,112"	"2,208,702"	"2,776,112"	"3,514,250"	"2,782,899"	"2,557,567"	"2,266,842"	"3,802,807"	"3,857,589"	"2,601,804"	"3,854,200"	"2,713,856"	"3,418,440"	"3,935,896"	"1,661,990"
803	valyltyrosine	Peptide	Dipeptide	40697	LC/MS Neg	100003649	2400	279.13503	3061-91-4	4065033	3280382		HMDB29139	"54,286"	"67,600"	"110,858"	"158,775"	"38,142"	"117,135"	"45,409"	"85,008"	"56,995"	"35,754"			"43,566"	"75,607"	"87,928"	"74,299"	"83,313"	"69,299"	"70,648"	
804	valylvaline	Peptide	Dipeptide	40728	LC/MS Pos Early	100003650	2879	217.15467	3918-94-3	409682	362559			"1,054,316"	"433,091"	"1,494,290"	"1,587,583"	"1,116,950"	"577,722"	"835,107"	"1,528,373"	"1,882,906"	"1,781,151"	"1,107,409"	"1,176,767"	"1,569,959"	"1,759,375"	"1,019,683"	"2,205,600"	"1,377,138"	"2,320,549"	"2,373,386"	"562,857"
3229	xanthine	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	3147	LC/MS Polar	1004	2023	151.02615	69-89-6	1188	1151	C00385	HMDB00292	"105,669,688"	"53,456,156"	"105,569,136"	"121,386,088"	"92,163,472"	"53,580,148"	"104,335,808"	"97,719,280"	"120,369,192"	"91,912,496"	"102,394,912"	"111,824,440"	"116,045,584"	"84,729,568"	"50,584,532"	"103,128,312"	"107,515,672"	"121,042,040"	"141,787,136"	"82,483,936"
3231	xanthosine	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	15136	LC/MS Neg	100000299	1075	283.0684	146-80-5	64959	58484	C01762	HMDB00299	"339,382"	"418,747"	"308,281"	"362,931"	"341,084"	"159,945"	"433,745"	"333,087"	"522,392"	"227,648"	"307,338"	"267,405"	"315,463"	"479,875"	"173,045"	"189,021"	"527,391"	"413,596"	"392,584"	"216,909"
3230	xanthosine 5'-monophosphate (xmp)	Nucleotide	"Purine Metabolism, (Hypo)Xanthine/Inosine containing"	12024	LC/MS Neg	1251	580	363.03474	25899-70-1	73323	10463791	C00655	HMDB01554	"191,845"	"336,224"	"387,986"	"361,666"	"487,840"	"378,353"	"757,324"	"454,154"	"496,796"	"466,234"	"671,086"	"324,782"	"390,474"	"426,085"	"439,428"	"268,983"	"437,930"	"312,356"	"282,616"	"235,485"