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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-amino-caprylic acid-ME102242---160.13
2'-deoxyadenosineDeoxyadenosineME10224913730C00559-252.11
5-hydroxypyrrole-2-carboxylate, Na adduct-ME102250---150.01
acetylcarnitineCAR 2:0ME1022481C02571-204.13
acetylornithineN-AcetylornithineME102247---175.11
adenosineAdenosineME10224660961C00212-268.10
ADP, Na adductADPME102245-C00008-450.02
?-aminobutyric acidgamma-Aminobutyric acidME102243119C00334-104.07
amino valeric acid-ME102244---118.09
AMPAMPME1022416083C00020-348.07
arginineArginineME1022406322C00062-175.12
citramalic acidCitramalic acidME1022391081C00815-149.06
citric acid/isocitric acidCitric acid/Isocitric acidME102238---193.03
citrullineCitrullineME1022379750C00327-176.10
cytidineCytidineME1022366175C00475-244.09
cytosineCytosineME102235597C00380-112.05
deoxycholic acidDeoxycholic acidME102234222528C04483-393.30
diadenosine-ME102233---259.08
galactosamineGalactosamineME102232318324--180.09
glutamate-5-phosphate-ME102231---228.03
glutamic acidGlutamic acidME10223033032C00025-148.06
glutamineGlutamineME1022295961C00064-147.08
glutamylhydroxyproline, Na adduct-ME102228---282.11
glutathioneGlutathioneME102227124886C00051-308.09
guanineGuanineME102226764C00242-152.06
histamineHistamineME102225774C00388-112.08
homoserine lactoneHomoserine lactoneME102224---102.05
hypoxanthineHypoxanthineME102223790C00262-137.06
L-2,3-Dihydrodipicolinate-ME102222---170.04
leucineLeucineME1022216106C00123-132.10
L-galactonic acid-lactoneL-Galactono-1,4-lactoneME102220---179.05
lysineLysineME1022195962C00047-147.11
maltoseMaltoseME102218439186C00208-343.12
N-acetyldiaminobutyrate-ME102216---161.09
N-acetyl glutamic acidN-Acetylglutamic acidME10221770914C00624-190.07
ornithineOrnithineME1022156262C00077-136.10
oxoprolinePyroglutamic acidME1022147405C01879-130.05
pantothenic acidPantothenic acidME102213988C00864-220.12
PC32:1PC 32:1ME102212---732.55
PC33:2PC 33:2ME102211---744.55
PC34:1PC 34:1ME102210---760.58
PC34:2PC 34:2ME102209---758.56
PC35:0PC 35:0ME102208---776.60
PC35:2PC 35:2ME102207---772.58
PC36:2PC 36:2ME102206---786.59
PC36:3PC 36:3ME102205---784.57
PC37:2PC 37:2ME102204---800.61
PC38:2PC 38:2ME102203---814.62
PC38:5PC 38:5ME102202---808.58
PC38:6PC 38:6ME102201---806.57
PC40:9PC 40:9ME102200---828.56
PE32:0PE 32:0ME102199---692.52
PE32:1PE 32:1ME102198---690.50
PE32:2PE 32:2ME102197---688.49
PE33:0PE 33:0ME102196---706.53
PE33:1PE 33:1ME102195---704.52
PE33:2PE 33:2ME102194---702.50
PE34:1PE 34:1ME102193---718.53
PE34:2PE 34:2ME102192---716.52
PE35:1PE 35:1ME102191---732.55
PE35:2PE 35:2ME102190---730.53
PE36:2PE 36:2ME102189---744.55
PE36:3PE 36:3ME102188---742.53
PE36:4PE 36:4ME102187---740.51
PE36:5PE 36:5ME102186---738.50
PE37:0PE 37:0ME102185---764.61
PE37:2PE 37:2ME102184---758.56
PE37:4PE 37:4ME102183---754.52
PE37:5PE 37:5ME102182---752.52
PE38:5PE 38:5ME102181---766.53
PE39:5PE 39:5ME102180---780.55
PE40:8PE 40:8ME102179---788.52
PG38:5PG 38:5ME102178---797.54
phenylalaninePhenylalanineME1021766140C00079-166.09
phenylalanine, Na adduct-ME102177---188.07
phosphocreatinePhosphocreatineME102175587C02305-212.05
phosphoserinePhosphoserineME10217468841C01005-186.02
prolineProlineME102173145742C00148-116.07
pyroglutamic acidPyroglutamic acidME1021727405C01879-130.05
S-AdenosylhomocysteineS-AdenosylhomocysteineME102171439155C00021-385.13
serineSerineME1021705951C00065-106.05
serotoninSerotoninME1021695202C00780-177.11
thiamine pyrophosphateThiamine diphosphateME1021681132C00068-426.05
tyrosineTyrosineME1021676057C00082-182.08
UDP-GlcNAcUDP-N-acetylglucosamineME102166445675C00043-608.08


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-phenylglycine2-PhenylglycineME1023063866--150.06
adenineAdenineME102305190C00147-134.05
adenosineAdenosineME10230460961C00212-266.09
ADPADPME1023026022C00008-426.02
ADP, Na-2H adductADPME102303-C00008-426.02
ala-gluAla-GluME102301---217.08
benzoic acidBenzoic acidME102300243C00180-121.03
cGMP3',5' cyclic GMPME102299---344.03
deoxyinosineDeoxyinosineME102298---251.08
diamino-pimelic acid2,6-Diaminopimelic acidME102297865--189.09
disaccharides (trehalose)-ME102296---341.11
fumaric acidFumaric acidME102295444972C00122-115.00
galactosamineGalactosamineME102294318324--178.07
galactoseGalactoseME1022936036C00124-179.06
glucoseGlucoseME1022925793C00031-179.05
glucose-1-phosphateGlucose 1-phosphateME10229065533C11450-259.02
glucose, Cl adductGlucoseME102291-C00031-215.03
glutamic acidGlutamic acidME10228933032C00025-146.05
glutamineGlutamineME1022885961C00064-145.06
glutathioneGlutathioneME102287124886C00051-306.08
inosineInosineME1022866021C00294-267.08
L-2,3-Dihydrodipicolinate-ME102285---168.03
lysineLysineME1022845962C00047-145.10
N-acetyl-galactosamineN-Acetyl-D-galactosamineME10228335717C01132-220.08
N-acetyl-glutamic acidN-Acetylglutamic acidME10228270914C00624-188.06
N-acetyl-neuraminic acidN-Acetylneuraminic acidME102281444885C19909-308.11
oxoprolinePyroglutamic acidME1022807405C01879-128.03
PA34:1PA 34:1ME102279---673.48
PA36:2PA 36:2ME102278---699.50
pantothenic acidPantothenic acidME102277988C00864-218.10
PG32:0PG 32:0ME102276---721.50
PG32:1PG 32:1ME102275---719.48
PG33:1PG 33:1ME102274---733.50
PG34:0PG 34:0ME102273---749.52
PG34:1PG 34:1ME102272---747.51
PG34:2PG 34:2ME102271---745.50
PG35:2PG 35:2ME102270---759.51
PG36:0PG 36:0ME102269---777.54
PG36:2PG 36:2ME102268---773.53
PG36:3PG 36:3ME102267---771.51
PG37:2PG 37:2ME102266---787.54
PG38:2PG 38:2ME102265---801.54
phenylalaninePhenylalanineME1022646140C00079-164.07
pyroglutamic acidPyroglutamic acidME1022637405C01879-128.04
serineSerineME1022625951C00065-104.04
serotoninSerotoninME1022615202C00780-175.09
sorbic acidSorbic acidME102260643460--111.05
sucroseSucroseME1022595988C00089-341.11
thiamineThiamineME1022581130C00378-263.10
threonine/homoserineThreonine/HomoserineME102257---118.05
tyrosineTyrosineME1022566057C00082-180.07
UDP-G-ME102255---565.05
UDP-GlcNAcUDP-N-acetylglucosamineME102254445675C00043-606.07
UMPUMPME1022536030C00105-323.03
valineValineME1022526287C00183-116.07
xanthineXanthineME1022511188C00385-283.07


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