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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
3-hydroxynorvaline3-HydroxynorvalineME584586--7.56134.0812
3-Methoxytyramine3-MethoxytyramineME584587--6.35168.1019
3-Methylhistidine3-MethylhistidineME584588--9.71170.0924
5-hydroxytryptophan5-Hydroxy-tryptophanME584743--6.47221.092
5-Methylcytosine5-MethylcytosineME584589--6.22126.0662
AcetaminophenAcetaminophenME584590--1.82152.0706
AgmatineAgmatineME584591--9.03131.1292
Ala-AlaAla-AlaME584592--7.82161.0921
Ala-ArgAla-ArgME584593--9.38246.1562
Ala-GluAla-GluME584594--7.66219.0976
Ala-HisAla-HisME584595--9.49227.1139
Ala-IleAla-IleME584596--7.29203.1391
Ala-LysAla-LysME584597--9.54218.1499
Ala-MetAla-MetME584598--7.37221.0955
AlanineAlanineME584599--7.7290.055
Ala-PheAla-PheME584600--7.13237.1235
Ala-Thr/Thr-Ala-ME584601--7.88191.1027
ArginineArginineME584602--8.69175.1189
Arg-MetArg-MetME584603--8.89306.1596
Arg-ProArg-ProME584604--9.98272.1718
Asn-ArgAsn-ArgME584605--9.5289.162
AsparagineAsparagineME584606--7.8133.0608
Aspartic acidAspartic acidME584607--7.72134.0448
AtenololAtenololME584608--6.79267.1704
BetaineBetaineME584609--8.86118.0861
BiliverdinBiliverdinME584610--1.8583.2548
BiotinBiotinME584611--3.6245.0955
C16 SphinganineC16 SphinganineME584612--5.95274.2741
C16 SphingosineC16 SphingosineME584613--5.82272.2585
C17 SphinganineC17 SphinganineME584614--5.73288.2898
C20 SphingosineC20 SphingosineME584615--5.98328.3211
C22 SphingosineC22 SphingosineME584616--5.62356.3524
CaffeineCaffeineME584617--2.98195.0877
CAR 18:0CAR 18:0ME584618--5.83428.3735
CAR DC3:0;2MeCAR DC3:0;2MeME584619--8.54262.1285
CarnitineCarnitineME584620--8.71162.1125
CarnosineCarnosineME584637--9.23227.114
CholineCholineME584621--8.17104.1068
CitrullineCitrullineME584622--8.23176.1031
CreatineCreatineME584623--8.22132.0768
CreatinineCreatinineME584624--6.41114.0662
CytidineCytidineME584625--5.79244.0929
CytosineCytosineME584626--6.12112.0506
DeoxyadenosineDeoxyadenosineME584627--5.1252.1092
DeoxycytidineDeoxycytidineME584628--5.94228.098
DG 36:2DG 36:2ME584629--1.41638.5716
D-N-Acetylgalactosamine-ME584741--5.26204.0867
DOPADOPAME584630--7.62198.0761
EctoineEctoineME584631--8.82143.0816
Glu-IleGlu-IleME584632--7.3261.1446
Gly-ArgGly-ArgME584633--9.31232.1405
Gly-ProGly-ProME584634--8.62173.0922
GuanosineGuanosineME584635--5.19284.0991
hemin-ME584636--4.82616.1764
His-IleHis-IleME584638--8.55269.1608
His-PheHis-PheME584639--8.34303.1453
His-ProHis-ProME584640--9.95253.1296
HistidineHistidineME584641--9.02156.0768
His-ValHis-ValME584642--8.92255.1452
HomocitrullineHomocitrullineME584643--8.21190.1186
HydroxyprolineHydroxyprolineME584644--7.42132.0655
HypoxanthineHypoxanthineME584645--4.72137.0457
Ile-GlnIle-GlnME584646--8.01260.1606
Ile-MetIle-MetME584647--6.8263.1424
Leu-PheLeu-PheME584648--6.5279.1704
Leu-TyrLeu-TyrME584649--6.59295.1654
L-HistidinolL-HistidinolME584650--8.98142.0976
LPC 16:1LPC 16:1ME584651--7.79494.3242
LPE 15:0LPE 15:0ME584652--6.28440.2772
LPE 16:1LPE 16:1ME584653--6.25452.2772
LPE 18:1LPE 18:1ME584654--6.18480.3084
Lys-GlnLys-GlnME584655--9.64275.1714
Lys-GlyLys-GlyME584656--9.61204.1342
Lys-IleLys-IleME584657--8.89260.1969
LysineLysineME584658--8.95147.1128
Lys-ProLys-ProME584659--10.44244.1657
Lys-SerLys-SerME584660--9.42234.1449
Lys-TyrLys-TyrME584726--8.73310.1763
MethionineMethionineME584661--6.97150.0584
Methionine sulfoxideMethionine sulfoxideME584662--8.52166.0533
Met-Lys/Lys-Met-ME584663--9.02278.1533
Met-ValMet-ValME584664--7.1249.1268
myristoleateMyristoleic acidME584665--1.59227.2006
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME584668--4.01153.0659
N6-AcetyllysineN6-AcetyllysineME584669--8.1189.1234
N6-MethyladenosineN6-MethyladenosineME584585--4.5282.1198
N(6)-MethyllysineN(6)-MethyllysineME584667--9.56161.1285
N(6),N(6)-Dimethyl-lysineN(6),N(6)-Dimethyl-lysineME584666--10.12175.1442
N-6-TrimethyllysineN-6-TrimethyllysineME584670--11.08189.1596
N-AcetylarginineN-AcetylarginineME584671--8.08217.1295
N-Acetylglutamic acidN-Acetylglutamic acidME584672--4.31190.071
N-AcetylhistamineN-AcetylhistamineME584673--8.63154.0975
N-AcetylhistidineN-AcetylhistidineME584674--8.23198.0849
N-AcetylleucineN-AcetylleucineME584675--2.49174.1126
Nicotinic acidNicotinic acidME584676--3.44124.0394
Nicotinuric acidNicotinuric acidME584677--6.28181.0608
N-MethylserotoninN-MethylserotoninME584678--6.6191.1179
Norharmanebeta-CarbolineME584742--5.81169.0759
Oleoyl-EAOleoyl-EAME584679--1.79326.3055
Pantothenic acidPantothenic acidME584680--2.83220.118
PE 30:0PE 30:0ME584681--5.39664.4908
PE 34:2PE 34:2ME584682--5.31716.5219
Phe-GluPhe-GluME584683--7.33295.129
Phe-GlyPhe-GlyME584684--7.28223.1078
Phe-IlePhe-IleME584685--6.25279.1704
Phe-LysPhe-LysME584686--8.91294.1813
Phe-MetPhe-MetME584687--6.56297.1269
Phenylalanine-d8 [iSTD]-ME584583--6.69174.1365
Phe-SerPhe-SerME584688--7.17253.1184
Phe-ThrPhe-ThrME584689--7.15267.1341
Phe-TrpPhe-TrpME584690--6.16352.1656
Phe-TyrPhe-TyrME584691--6.28329.1497
Pipecolic acidPipecolic acidME584692--7.65130.0863
Pro-Ala/Ala-Pro-ME584693--8.51187.1077
Proline betaineProline betaineME584694--8.96144.1019
PterinPterinME584695--4.55164.0567
PutrescinePutrescineME584696--9.2689.1073
Ser-ArgSer-ArgME584697--9.26262.151
Ser-IleSer-IleME584698--7.33219.134
SerineSerineME584699--7.57106.0499
SerotoninSerotoninME584700--6.41177.1023
Ser-Pro/Pro-Ser-ME584701--8.36203.1026
Ser-ThrSer-ThrME584702--7.84207.0976
Ser-TrpSer-TrpME584703--6.88292.1294
S-Methylcysteine S-oxideS-Methylcysteine S-oxideME584704--8.6152.0386
sn-Glycero-3-phosphocholinesn-Glycero-3-phosphocholineME584705--10.3258.1099
SphinganineSphinganineME584706--6302.3055
TarginineTarginineME584707--9.1189.1346
TaurineTaurineME584708--6.02126.022
ThiamineThiamineME584709--9.6265.1117
Thr-ArgThr-ArgME584710--9.23276.1667
ThreonineThreonineME584711--7.52120.0656
Thr-GlnThr-GlnME584712--8.3248.1241
Thr-GluThr-GluME584713--7.76249.1082
Thr-IleThr-IleME584714--7.11233.1497
Thr-ProThr-ProME584715--8.06217.1184
Thr-ThrThr-ThrME584716--7.75221.1132
Thr-TrpThr-TrpME584717--6.76306.1449
Thr-TyrThr-TyrME584718--7.07283.129
TriethanolamineTriethanolamineME584719--7.63150.1125
Triisopropanolamine-ME584720--7.13192.1594
Trp-GlyTrp-GlyME584721--7.07262.1187
Trp-ValTrp-ValME584722--6.38304.1658
TryptamineTryptamineME584723--6.12161.1074
TyramineTyramineME584724--6.16138.0914
Tyr-LeuTyr-LeuME584725--6.31295.1654
TyrosineTyrosineME584727--6.59182.0812
Tyr-ProTyr-ProME584728--7.42279.134
Tyr-TyrTyr-TyrME584729--6.35345.1447
Tyr-ValTyr-ValME584730--6.59281.1497
Urocanic acidUrocanic acidME584731--4.4139.0503
Val-AlaVal-AlaME584732--7.61189.1235
Val-Arg/Val-Arg-ME584733--9.17274.1874
Val-AsnVal-AsnME584734--7.9232.1293
Val-AspVal-AspME584735--7.57233.1132
Val-GlnVal-GlnME584736--7.93246.1449
Val-GlyVal-GlyME584737--7.68175.1078
Val-HisVal-HisME584738--9.26255.1452
Valine-d8 [iSTD]-ME584584--7.37126.1365
Val-ProVal-ProME584739--7.61215.1391
Val-SerVal-SerME584740--7.63205.1183


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
CE 16:0CE 16:0ME584744--11.88647.5736
CE 16:1CE 16:1ME584745--11.59645.5584
CE 18:1CE 18:1ME584748--11.94673.5898
CE 18:2CE 18:2ME584750--11.68671.5742
DG 30:0DG 30:0ME584752--8.79563.4649
DG 31:0DG 31:0ME584807--9.01577.4807
DG 32:0DG 32:0ME584753--9.23591.4962
DG 32:1DG 32:1ME584754--8.91589.4805
DG 32:2DG 32:2ME584755--8.67587.4649
DG 34:0DG 34:0ME584756--9.64619.5274
DG 34:1DG 34:1ME584757--9.36617.5117
DG 34:2DG 34:2ME584758--9.05615.4961
DG 34:3DG 34:3ME584760--8.77613.4804
DG 35:1DG 35:1ME584808--9.57631.5275
DG 35:2DG 35:2ME584809--9.26629.5118
DG 36:0DG 36:0ME584761--9.99647.5588
DG 36:1DG 36:1ME584762--9.77645.5431
DG 36:2DG 36:2ME584764--9.47643.5275
DG 38:2DG 38:2ME584810--9.85671.5588
LPC 17:0LPC 17:0ME584751--5.11510.3556
LPE 18:1LPE 18:1ME584749--4.95480.3087
MG 14:0_bMG 14:0ME584811--4.62325.235
MG 16:1MG 16:1ME584746--4.91339.2507
MG 18:0MG 18:0ME584747--5.85381.2976
PE 36:1PE 36:1ME584763--9.29746.5699
PE P-34:2 or PE O-34:3PE P-34:2 or PE O-34:3ME584759--9.15702.5436
PE P-36:1 or PE O-36:2PE P-36:1 or PE O-36:2ME584765--9.57730.575
PE P-36:2 or PE O-36:3PE P-36:2 or PE O-36:3ME584766--9.26728.5594
sphingosineSphingosineME584812--4.14300.2897
TG 42:0TG 42:0ME584767--10.87745.6322
TG 43:0TG 43:0ME584768--11.02759.6479
TG 44:0TG 44:0ME584769--11.17773.6636
TG 44:1TG 44:1ME584770--10.97771.648
TG 44:2TG 44:2ME584771--10.79769.6323
TG 45:0TG 45:0ME584772--11.31787.6793
TG 45:1TG 45:1ME584773--11.13785.6636
TG 46:0TG 46:0ME584774--11.46801.695
TG 46:1TG 46:1ME584775--11.28799.6793
TG 46:2TG 46:2ME584776--11.1797.6636
TG 47:0TG 47:0ME584777--11.6815.7106
TG 47:1TG 47:1ME584778--11.42813.6949
TG 47:2TG 47:2ME584779--11.26811.6793
TG 48:0TG 48:0ME584780--11.75829.7263
TG 48:1TG 48:1ME584781--11.57827.7106
TG 48:2TG 48:2ME584782--11.4825.6949
TG 48:3TG 48:3ME584783--11.22823.6793
TG 49:0TG 49:0ME584784--11.9843.7419
TG 49:1TG 49:1ME584785--11.7841.7262
TG 49:2TG 49:2ME584786--11.52839.7107
TG 49:3TG 49:3ME584787--11.35837.695
TG 50:0TG 50:0ME584788--12.06857.7577
TG 50:1TG 50:1ME584789--11.84855.7418
TG 50:2TG 50:2ME584790--11.66853.7262
TG 50:3TG 50:3ME584791--11.5851.7106
TG 51:0TG 51:0ME584792--12.22871.7733
TG 51:1TG 51:1ME584793--11.98869.7577
TG 51:2TG 51:2ME584794--11.81867.742
TG 51:3TG 51:3ME584795--11.64865.7261
TG 52:0TG 52:0ME584796--12.4885.7889
TG 52:1TG 52:1ME584797--12.14883.7734
TG 52:2TG 52:2ME584798--11.91881.7575
TG 52:3TG 52:3ME584799--11.69879.7419
TG 52:4TG 52:4ME584800--11.48877.7263
TG 54:1TG 54:1ME584801--12.48911.8057
TG 54:2TG 54:2ME584802--12.24909.7865
TG 54:3TG 54:3ME584803--12.01907.7732
TG 54:4TG 54:4ME584804--11.78905.7576
TG 54:5TG 54:5ME584805--11.57903.7418
TG 54:6TG 54:6ME584806--11.36901.7262
TG 58:2TG 58:2ME584813--12.99965.8518


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