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Analysis: ESI/QTOF positive ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2'-deoxycytidineDeoxycytidineME70212013711C00881-228.1236632
2'-deoxyuridineDeoxyuridineME70211913712C00526-229.1092093
adenineAdenineME702118190C00147-136.0734928
adenosineAdenosineME70211760961C00212-268.1207663
ala-glnAla-GlnME702116---218.1271468
ala-glyAla-GlyME702115---147.0861349
ala-hisAla-HisME702114---227.1278222
allantoinAllantoinME702113204C01551-159.0876284
amino-N-valeric acid-ME702112---118.0957992
arginine, pos-ME702111---175.1295977
cAMP3',5' cyclic AMPME7021106076C00575-330.0792314
cholineCholineME702109305C00114-105.1178858
cUMP-ME702108---307.0484153
cytidineCytidineME7021076175C00475-244.0954193
cytosineCytosineME702106597C00380-112.0606072
deoxyinosineDeoxyinosineME702105---253.0976205
GlcNAcN-Acetyl-D-galactosamine 4-sulphateME702104446101C16265-222.1000164
glucuronamide-ME702103---194.0725508
glutamic acidGlutamic acidME70210233032C00025-148.0712319
guanineGuanineME702101764C00242-152.0684033
histidineHistidineME7021006274C00135-156.0872138
methionine sulfoxideMethionine sulfoxideME702099847--166.0653918
methyl-D-glucoside/mannoside/galactoside-ME702098---195.0913186
N-acetyl-aspartic acidN-Acetylaspartic acidME70209765065C01042-176.068211
N-acetyl-glutamic acidN-Acetylglutamic acidME70209670914C00624-190.0831085
N-acetyl-tyrosineN-AcetyltyrosineME70209589216--224.1139666
nicotinic acidNicotinic acidME702094938C00253-124.0501347
pantothenic acidPantothenic acidME702093988C00864-220.1323121
PE36:2PE 36:2ME702092---744.5801501
prolineProlineME702091145742C00148-116.0805403
pyridoxinePyridoxineME7020901054C00314-170.0923772
serineSerineME7020895951C00065-106.0592157
sorbic acidSorbic acidME702088643460--113.0794296
taurineTaurineME7020871123C00245-126.0337366
thiamineThiamineME7020861130C00378-265.1076687
threonine/homoserineThreonine/HomoserineME702085---120.0885785
tyramineTyramineME7020845610C00483-138.1019637


Analysis: ESI/QTOF negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2'-deoxyadenosineDeoxyadenosineME70216513730C00559-250.0718838
2'-deoxycytidineDeoxycytidineME70216413711C00881-226.1014809
2-phenylglycine2-PhenylglycineME7021633866--150.049905
4-Hydroxy-L-prolinecis-4-HydroxyprolineME702166440015C01015-130.0602345
adenineAdenineME702162190C00147-134.0538707
adenosineAdenosineME70216160961C00212-266.1018069
ala-leuAla-LeuME702160259583--201.1338539
amino-imidazolecarboxamideAminoimidazolecarboxamideME702159---125.0420733
AMPAMPME7021586083C00020-346.0730871
arabitolArabitolME702157827C01904-151.0519332
arginineArginineME7021566322C00062-173.1136145
asparagineAsparagineME7021556267C00152-131.052548
cAMP3',5' cyclic AMPME7021546076C00575-328.0611422
citrullineCitrullineME7021539750C00327-174.0864013
cTMP-ME702152---303.0493072
dihydroorotic acidDihydroorotic acidME702151439216C00337-157.0373333
glucoseGlucoseME7021505793C00031-179.0645136
glutamic acidGlutamic acidME70214933032C00025-146.0536438
guanineGuanineME702148764C00242-150.0493436
guanosineGuanosineME7021476802C00387-282.0955053
histidineHistidineME7021466274C00135-154.0703321
hydroxy-glutaric acid-lactone-ME702145---129.0268386
inosineInosineME7021446021C00294-267.0871166
lysineLysineME7021435962C00047-145.106045
malic acidMalic acidME702142222656C00149-133.0227106
maltoseMaltoseME702141439186C00208-341.1226058
met-alaMet-AlaME7021407009581--219.0925999
methionine sulfoxideMethionine sulfoxideME702139847--164.0487184
N-acetyl-aspartic acidN-Acetylaspartic acidME70213865065C01042-174.0567502
N-acetyl-glucosaminitolN-Acetyl-glucosaminitolME702137---222.1072654
N-acetyl-glutamic acidN-Acetylglutamic acidME70213670914C00624-188.0659326
N-acetyl-phenylalanineN-AcetylphenylalanineME70213574839C03519-206.0909401
N-acetyl-tyrosineN-AcetyltyrosineME70213489216--222.086685
nicotinic acidNicotinic acidME702133938C00253-122.0311588
ornithineOrnithineME7021326262C00077-131.0896575
oxoprolineOxoprolineME7021317405C01879-128.0420756
pantothenic acidPantothenic acidME702130988C00864-218.1131475
PE34:2PE 34:2ME702129---716.5541752
pyridoxaminePyridoxamineME7021281052C00534-167.0894488
pyridoxinePyridoxineME7021271054C00314-168.0753402
salicylic acidSalicylic acidME702126338C00805-137.0312349
sedoheptulosan-ME702125---191.0611951
serotoninSerotoninME7021245202C00780-175.0961902
sorbitolSorbitolME702123453C00794-181.0798616
taurineTaurineME7021221123C00245-124.0138196
threonine/homoserineThreonine/HomoserineME702121---118.0543208


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