ID	MS2-1	MS2-2	MS2-3	MS2-4	MS2-5	MS2-6	MS2-7	MS2-8	MS2-9	MS2-10	MS2-11	MS2-12	MS2-13	MS2-14	MS2-15	MS2-16	MS2-17	MS2-18	MS2-19	MS2-20	MS2-21	CG-1	CG-2	CG-3	CG-4	CG-5	CG-6	CG-7	CG-8	CG-9	CG-10	CG-11	CG-12	CG-13	CG-14	CG-15	CG-16	CG-17	CG-18	CG-19	CG-20	CG-21	CG-22	CG-23	CG-24	CG-25	CG-26	CG-27	CG-28	CG-29	CG-30
Trehalose	-1.10595185011369	-0.702651087600678	-1.09003435189573	0.0175127882782984	-0.751720290771114	-1.09669601078687	-0.659948794547858	-0.382450646934838	-0.307352177832911	0.512192404414038	-1.09696360682933	-0.487379991449821	0.528462008245968	-1.18742264357688	-1.34420321494952	-0.57922256513839	0.92226898837966	-1.31224371618636	-0.0693505080114043	-0.31677561721169	-0.920086734582886	1.68810687897322	-0.253973027647534	0.809586801710488	-0.151380938611788	0.757921064887836	-1.24143100114925	2.80701529769501	0.963086103029413	2.43383821983552	1.79694604933574	-0.31650615131848	-1.30166132159096	-0.941143577295929	0.251206652710471	0.146778563974881	0.78005437767862	0.471073889853525	0.709109845621662	0.16461695451545	0.373666435920302	0.276097819747597	-0.755749188682544	-0.045120918675571	-0.221233358687629	-0.834345680100312	-0.432102241234024	0.899119924397098	1.95818171408927	1.10373552703705	-0.465477096917134
L-Pyroglutamic acid	-0.0973150316199602	-0.267527961637621	4.50365743494676	-0.487869806226474	1.04796630044408	-0.453060931646055	2.23377994088418	-0.441841118398646	0.928711378934803	0.85366557599928	-0.356293629297025	-0.431566513610351	-0.330953566688902	0.0389137688439304	1.18819980118154	-0.429348676125674	-0.368482659769913	-0.458282179527602	-0.410757993663742	0.20491350924783	3.75979874454593	-0.389463160596841	-0.36506528187168	-0.505145420702207	-0.462098795492237	-0.0189839541227498	-0.528793270797083	-0.475523658796468	-0.323041509521653	-0.190129102712397	-0.3421852048478	-0.524913390400474	-0.161669821352454	-0.142844780675158	-0.311853342426745	-0.572214479423707	-0.302400631073226	0.18870755324126	-0.420095608762235	-0.488257749607357	0.0720868043331024	-0.360037113179813	-0.520858734553309	-0.47365796092768	-0.484634492640861	-0.136497090720347	-0.128747284365908	-0.507696137687824	-0.506556665846441	-0.302769553904601	-0.540966547381481
Lys-Val	-1.42942025215843	0.366843512536494	-1.05737869263569	-0.327494553015563	-0.83036492400231	-0.228883245635692	-0.475917264376544	-0.369454958981233	-0.027667520361463	-0.170322843390962	-1.64814932087229	-0.610113221662353	-0.623615780516005	-1.12508013591853	-1.29458337100064	-0.335102391953577	-0.498852031608992	0.0959823991034191	1.59532224720222	-0.952211276886692	-0.245770682695889	0.182545933063496	-0.852921925843882	0.821676996180789	2.44981611011196	0.0604612827179908	-1.56685408974176	1.59793839265819	0.359226316690786	1.45879047696826	0.89149265278749	-0.436039120155097	-1.36532900893996	-1.67309164366182	1.17639426468907	-0.478694971866639	1.20889315267238	-0.152833233495313	0.243790467848028	1.44745116485919	1.48555417881729	2.20188448534608	0.212033409055421	-0.56666499211028	0.786826031196606	0.597855304240948	-0.264840875293183	0.495484308312989	-0.653217024738028	0.633329698121662	-0.108723431661972
1-Palmitoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	-0.903330681951193	-0.970251280640946	-0.292560458942541	0.273923978985236	-0.960144702302919	-0.157781090376378	-0.270902751609641	-0.852269928907078	-0.463637513203745	-1.37200050699376	-0.235065497134458	0.139157621194081	0.127366485646717	-0.822414179244174	-1.3677526343826	-1.08673087116078	-1.19327524568001	0.818318330268498	0.0953086464678062	-0.22228856911686	-0.0629598571483489	1.06268527883698	1.70804626907992	2.33156811108168	-0.241511610902279	0.0842505760959178	0.403965708780562	-0.571306916191478	-0.813650039242545	-0.891236230172518	-1.35319860310339	-0.747985067998321	0.360091638843972	2.14922022401358	-0.385637058798664	-0.690060533162938	0.0489929572390976	0.126038307706684	0.137664014895434	0.370550125365301	1.55625916833929	-0.614579848388041	0.441020569987379	3.32216685357467	-0.920594795540154	0.719763118671379	0.637600476093479	0.0459657362988991	1.29657816722477	-0.709830825520247	0.916454933124673
Arg-Ile	-0.617641086106031	-0.0868169389856439	-0.608468212583463	-1.20176038606618	-1.45141131511912	-0.122571831843869	-1.00567749477612	-0.814563181104953	0.232912030199496	0.378257729222325	-0.807179333111348	-0.315793148673699	-0.528656084756792	-1.10055485802528	-1.0991854891725	-1.28681807394334	-0.207367996283478	1.3982928537452	1.12278062417005	-0.64015771596767	-0.304889652977881	1.67200553488925	-0.631721923950591	-0.0359943356615637	3.20781776299993	0.142069616864245	-0.217404742107895	3.0695410854484	0.352254489501847	0.0952110626392903	-0.525448718004068	-0.644696720435986	-0.187611746840202	-0.981097422540393	1.08766700851661	-0.90785529966046	0.481571958358124	-0.448848725665924	-0.352359233491117	0.404762325747516	1.87652430461728	0.426298658037593	0.0525444340785046	-0.409021378965655	-0.399563134839043	0.374783685802897	-0.61008720087554	0.255537076663522	-0.365756274801995	1.30182691935818	0.984320496477532
Thymidine	-0.856848886102216	-0.0610209082872896	-0.794953109015967	-0.0322630492998621	0.0822161033578978	-0.855670088101917	-0.801204490899479	-0.773808176282843	-1.28699706308028	-1.44235432075677	-1.11853609523045	0.17002244729577	0.897789454036347	0.0764832927199134	-1.44092857240073	0.301161776295113	-0.09684760838341	-0.643652009601794	0.0704615795313849	-0.358491558172678	0.251298981283385	1.35641412452517	-0.617798653566985	0.96962721174017	0.722167594878971	2.21143909205305	3.2753874723719	0.897328607096871	-0.774357945011073	-0.66417280325492	-0.386764660259805	-1.22357314937525	-0.975584636438126	-1.01987010365637	0.872795825909237	0.237232706845598	-0.858409261332209	1.09828045512923	1.01392539198177	0.0919743498959456	1.23343072034569	2.29394073084787	-0.570849752465825	-0.244669227523689	-0.796749928693344	0.869112395923202	0.0924828414428033	-0.75596541593498	0.148873489033205	-0.254047481686596	0.472542310274376
20-Hydroxyarachidonic acid	-0.88477842258756	-0.402723737598549	-0.179643862838459	0.016568972159474	-0.311363485419352	-0.548284866879495	-0.571881608490747	-0.756720903297257	-0.0803318797603476	-0.382531452492483	-0.762648548256575	-0.858774814597314	-0.566676929585945	-0.316439328228317	-0.666243324017762	0.0122809674491801	1.21277093228089	-0.703095382332294	-0.654611516621552	-0.754523498812584	-0.471130580199288	-0.556049677653392	0.0554017904984006	-0.596911129083249	3.53835442819278	-0.0666188042985304	-0.781101748192	1.16652687191005	-0.536104565863579	1.09674280857511	-0.530392116495411	-0.0101580495066429	-0.842219711524261	-0.694421319482603	1.12709942606454	0.0639714236933481	0.66653902024114	0.250511009463847	-0.0962900428191946	-0.45799129757226	-0.290452713999391	-0.723845767694246	3.92547083366507	-0.35816532025215	1.79818901718188	-0.266573351017137	0.977631138160287	-0.475273749968162	1.19114895593661	-0.07927044984926	0.135036361814752
N1-Methyl-2-pyridone-5-carboxamide	0.780002450623359	1.10529274101361	-0.88509951636008	-0.768855318582227	-0.538303058900119	-1.05918606885566	-0.87056547752111	1.12027532581144	-0.643317585463396	-0.592693639219346	-0.846972770647757	-0.677474872302432	-0.94472949359503	-0.907839523604031	-0.893709419049144	-0.28641896327075	-0.672276581801566	0.939048151664175	-0.835932365490263	-0.869456517413899	-0.193779367460248	1.19329311248042	-0.616023761904323	-0.765899762442353	-0.777419200254015	-0.152940118625259	-0.724477058248277	0.0985963711152494	-0.260588036925398	1.90370738610217	1.14401295570842	-0.906392363385989	-1.02653104245352	-0.905389160219052	0.0193960367951118	3.377285703629	1.23069493595982	0.680429961037291	2.74119714798798	0.749235620197102	-0.156935905486617	1.32337822277391	-0.594227009620522	-0.0707491133832112	0.501937215492184	0.64289710577346	0.238665648214283	0.248625614701348	0.194556952402079	-0.519487852289204	-0.268857734707621
Gly-Ile	-1.57499899183611	-0.143743044702081	-0.0901146128549339	-0.956659950365338	-0.828821315288894	-0.438666836851229	0.534455690034389	-0.683089802591573	-0.640516354468696	-0.794096987254423	-1.24303934839589	-0.512213762690606	-0.679001626163648	0.343684702876977	-1.40462330266338	-1.1675944053808	0.00143226463668914	2.18761337096035	1.37028465546562	-0.285163518936606	-1.11438414882953	0.205962238968265	-0.259997234075054	0.269776954764858	2.91466867658923	2.03146059584055	-0.257748995410251	1.43111677603341	-0.385700179911676	0.621712992365483	-0.098392452860009	-0.986547960879253	0.984372967867392	-1.09908242993747	0.833013909554021	-0.935253588288081	0.214429195930237	-0.0718941178201963	-0.890596692153995	0.495112242858545	0.845503729621263	0.577717478355783	-0.226958488021956	-1.42941293819107	1.24286941121909	-0.273657804610971	0.304325228077032	1.33710892964028	-0.725108845779663	0.133784017254085	1.31667370829983
1-Palmitoylglycerol	-1.1467311731636	-0.800841427039685	-1.29767004209938	-0.237142761523535	-0.770043273387214	-0.470192331561634	-0.979603439420521	0.79380879169585	0.545970190326405	-1.28680245846303	-0.754864876207816	1.34832929412526	0.395510405076622	1.61249013139332	-0.134463758406389	0.041917970344903	-0.342775084886284	-1.35414559279612	-1.54601112044921	-0.393094370124734	-1.17725917602703	-2.50396681062789	0.93408587241565	1.19823978775721	0.54059428481699	0.61571983682645	-0.508229476019143	0.100531403895049	-0.820533140779238	2.09364151820715	0.308086943242884	-0.726142599148696	1.63543945082171	-0.608783152868414	0.292778154928299	1.83237705802316	-0.093589845023546	0.237477037709388	0.624950686101442	0.100497746635796	-0.467318621461017	0.464560530797818	0.334302068516926	-0.568259690261848	0.561819799051274	-0.86741764886583	-0.272647818511432	1.8560006892016	-0.106744394871105	-0.0447040131519313	1.8108484452351
Ser-Ile	-1.22704239637601	0.753611014967713	-0.964831227231308	-0.744099575630998	-0.923098195507425	-0.765103848251399	0.674345953973714	-0.399811263953276	0.346168561085594	-1.05430135073065	-0.811351750075016	-1.04593330157627	-0.876655374689663	0.634816732271032	-1.08115736988039	-1.08075476719473	0.287507106802475	0.78380962017739	0.563549958679534	0.23853996446512	-0.998031282033849	0.562931344088227	-1.01558424579192	0.499467495977548	2.24106513849634	1.1104211295881	-0.79724826266087	2.82539343640333	-0.0299535096428454	0.288725726872656	-0.436417177871886	-0.920104782205785	1.00005149571582	-1.14270256043286	0.435172825176641	-1.23089997544228	-0.0546927478968839	1.51456162550762	-0.77241156364817	0.207163812336121	-0.196359848367381	-0.120117152461801	-0.364291417325702	-0.817728859281774	1.0637712850654	-0.589800813177948	1.12832118232818	1.99856925420067	-1.00887918773083	1.15407382078422	1.15732532210648
Uracil	-1.16350555740135	-0.352686624838192	-0.392636885566122	0.114252313798773	0.280871503812512	-1.06095426297301	-0.657982393992283	-0.699368635169352	-1.31605761460605	-1.45191194529546	-1.0748558297909	-0.159150087395705	0.787935744185259	0.143776646229923	-1.4424401401485	0.0182709069046024	-0.584330724577825	-0.780755022562212	0.500588706457536	0.470558992142072	1.21866539876513	0.105500480264128	-0.497707401721728	0.567443311305924	-0.112318540418117	2.27433591600205	4.09066714825148	0.785170717913573	-0.798506998731405	-0.0878874746281445	-0.00299428627491216	-1.02060706107781	-1.04306755482515	-0.938748446549104	0.595323544136009	0.192955895293989	-0.551022565510054	1.51855666719646	1.29016441575847	-0.411540229783756	0.250455053337785	0.54314557520646	0.224552644922239	-0.0519574194518259	-1.00527034932959	1.23594905901933	0.302419644607235	-0.238834267603042	0.270180249089923	-0.571633737095282	0.686991522716023
Nicotinate	-1.32380249594277	-0.673733001956841	-0.884842275429216	1.18659179895195	-0.0303266880799413	-1.86012888821509	0.10071910779256	-0.754061375140939	-0.451774742494078	-1.77166905009764	-1.32978235488987	0.664823841948237	2.09704273668831	-0.999087365630552	-1.7885713633847	-0.25066323672336	-0.468010550595149	-0.267149678807904	-0.553307980444831	1.61545680570364	0.373181544241473	-1.22658946278988	2.17567174413931	1.11657399556568	0.29489663311477	0.308890424510463	-1.27484476996112	-0.449762034192998	0.167336806840738	0.359245561426733	-0.525695962587096	-1.3163975770549	-0.249309846185263	0.190536069262014	-0.563794455957495	0.91380697600655	-0.376822337401527	0.0365426119461741	1.50855166659043	0.317933399031955	-1.04681730266457	-0.0848364591969251	1.17295183987284	1.28249974041289	0.618745886381718	1.17892912079824	1.12192611166044	0.350314219324299	1.04170316260637	-0.117347692334491	0.444257143341353
Pro-Arg	-0.925530746339183	-0.335962303990984	-0.628648081052088	-0.606110001029471	-0.79016757792334	-0.484565753825335	-0.63461632371196	-0.577649605839723	-0.332718016684376	-0.411838671380667	-1.03957284486017	-0.162476449954803	-0.504991283610621	-0.493995134808217	-1.58687159428948	1.74885106505313	0.564600923159324	0.019714275458744	1.0611666855791	-0.39907879360708	-0.690644009874777	-0.115472851990725	0.465537113332447	4.14356824586055	2.07829812341517	1.39414349857633	-1.14804638848037	0.61459839957711	-0.112745133082646	0.00727048712112951	0.906423776293614	-1.13112252635388	-0.28328469977893	-1.23465760719047	0.188485805906693	0.240542067718217	0.781510627624724	-0.00108085466386622	0.145071128516275	-0.57582325317218	-0.267863607858866	-0.0125288233571915	1.80973314388411	-1.00718918674165	0.864352559518488	0.00357284121003917	-0.820355030006609	0.63045401070654	-0.679120756878487	-0.224518804127414	0.551351937953827
Lys-Leu	-1.01525757843736	0.186911762370159	-0.63685188336815	-0.252373452906373	-0.974649653071494	-0.179240091740265	-0.164698496217561	-1.22501750018694	-0.388742707427476	-0.695759216676794	-0.372528767391795	0.0163402971207335	-0.536957902132446	-0.055409500956693	-0.750116743304655	-0.352520734464362	-0.133562331820817	1.30740878137362	-0.689186162039734	-0.0354370078716012	-0.0797341395999831	1.33086481255671	-0.63692830173062	-0.266972864606307	1.75026065577346	-0.356861471723	-0.983560902286561	4.12394766802406	1.74387730679935	0.302512473375946	0.0562890216655687	-0.652423289257462	-0.505823213748101	-1.19892388967184	1.27255218815144	-1.06960566325972	-0.225025900180601	0.0776719700507747	-0.406027270207462	0.155140050816974	0.970507304633192	-0.680948263635674	-0.735148882327902	-0.79754860451852	-0.0996286958647677	-0.0990213398556973	-0.394522235638383	0.432502176905524	0.0850662037620496	1.98765783828833	1.84750414645922
4-Aminobutyric acid	-0.988293879864982	-0.302276674923689	-0.866206333657447	-0.633166221842415	-0.649056687356966	-0.203833522522184	-0.229131013132967	-0.778779164848235	0.139257964243471	-0.45971671646725	-0.385754721227229	-0.107134097408364	-0.431887853564936	-0.934258889350494	-0.921840853630349	-0.376510707272917	3.47825220400531	-0.366922362664103	-0.714822258251925	-0.640086705492523	-0.575611408655842	-0.315454424222089	0.0661692548576115	-0.131987394925692	0.660437665115775	1.20537514118547	-0.601206286254153	0.906970674991226	1.07617722673203	0.143865339569917	-0.358685663517705	-0.860729914726836	-0.115706758942195	-0.642168112951854	2.79561333063426	-0.692353728954319	1.69530989486754	0.619924761504063	-0.662181847361913	-0.220941756545948	3.11689810898463	0.451516300299325	0.104506209308198	-0.734310488294618	-0.0260240090183374	-0.686267168356916	-0.69210672166086	0.370612070702361	-0.353344512751598	1.12046689910595	-0.292594185487282
N-Acetylmannosamine	-0.31426399713788	0.0773126580214445	-0.0805192521222618	-0.42030652833462	-0.545344084248995	-0.612449970552169	-0.467713990220837	-0.353564235038496	-0.367711354746267	-0.147600212030901	-0.709444950152997	-0.51477135517386	-0.307381757585029	-0.00701661509871447	-0.724161432933023	-0.35846277593468	-0.497014192540093	-0.499676833815209	-0.137619566290635	0.19780403502132	-0.133943975918763	-0.365273832525775	-0.182489729277116	-0.333185460026685	0.0245940299576163	-0.372440014626478	-0.559248551114547	0.00642864345692846	-0.0597012336723353	6.13565850090113	1.9231951848495	-0.233873531072119	0.0686364839151228	0.0790273331505553	1.56477947391533	0.125319323275969	0.505484320064891	-0.54503350987367	-0.4072726876612	0.347339600452452	0.288967965431934	0.559697730487116	-0.0501592924243733	-0.111065851708701	-0.0257278626704064	-0.318972043256501	-0.538362072119642	-0.380787630614835	0.066094462582924	-0.0790986155543235	-0.208680747410095
4-Oxoretinol	0.396725985903024	-0.344312873604995	0.156062767921836	-0.528396040061409	-0.41395285175291	-0.473707101179677	0.397542168427667	-0.429184096192471	0.0888691482327667	-0.595707781146977	-0.167201923928867	-0.542242820764619	-0.664146778191749	-0.488356802296034	-0.567851583639584	-0.5258318875272	0.208107297216324	-0.590669124739292	-0.589330360827538	-0.639205355096933	-0.587267103853829	-0.219748778054935	-0.032381526869875	-0.553812977509067	1.27696843175393	-0.601812075593416	-0.605810764006153	-0.309274038046407	-0.106755082078325	-0.0774514989589241	-0.612083326375408	1.41592073175793	-0.488127879769531	-0.359551588246222	0.552508146908326	0.376388265041235	0.439924738260741	0.88600054675555	-0.449623646127674	-0.332962019294654	-0.299419930742989	-0.552655440704878	1.36898758861657	-0.40817719885237	5.62661315563721	-0.200326593153423	-0.258503801875192	-0.366594369315249	1.58691963568266	-0.617467712156102	0.822366124419113
