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Analysis: NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
MALONIC ACIDMalonic acidME108641867C003831.12103.0033
ALPHA-HYDROXYISOBUTYRIC ACID2-Hydroxyisobutyric acidME10861811671-2.24103.0396
URACILUracilME1086561174C001061.67111.0197
N-ACETYLGLYCINEN-AcetylglycineME10864510972-1.20116.0350
SUCCINATESuccinic acidME1086521110C000422.29117.0190
THREONINE/HOMOSERINEThreonine/HomoserineME108654--0.73118.0508
Succinic Acid-d4Succinic acidME108653--2.25121.0443
NICOTINATENicotinic acidME108648938C002531.42122.0247
3-METHYL-2-OXOVALERIC ACID3-Methyl-2-oxovaleric acidME10860947C034656.71129.0555
4-METHYL-2-OXO-PENTANOIC ACIDKetoleucineME10861370C002337.09129.0556
CREATINECreatineME108623586C003000.91130.0620
ETHYLMALONIC ACIDEthylmalonic acidME10862611756-6.06131.0347
GLUTARATEGlutaric acidME108628743C004894.68131.0347
(R)-MALATED-Malic acidME10860492824C004971.01133.0140
ADENINEAdenineME108615190C001471.53134.0470
HYPOXANTHINEHypoxanthineME108635790C002622.08135.0310
UROCANATEUrocanic acidME1086591549103-2.01137.0353
Salicylic Acid-d4Salicylic acidME10865146782907-9.94141.0493
4-GUANIDINOBUTANOATE4-Guanidinobutanoic acidME108612500C010351.63144.0777
L-GLUTAMINEGlutamineME1086375961C000640.74145.0615
N-ACETYL-DL-SERINEN-AcetylserineME108644352294-1.09146.0456
N-METHYL-D-ASPARTIC ACIDN-Methyl-D-aspartic acidME10864922880C122690.83146.0456
O-ACETYL-L-SERINEO-AcetylserineME10865099478C009790.93146.0456
CITRAMALATECitramalic acidME1086221081C008152.20147.0297
MEVALOLACTONEMevalolactoneME10864210428-2.42147.0661
L-METHIONINEMethionineME1086386137C000731.41148.0436
ALDOPENTOSEAldopentoseME108616--0.82149.0453
GUANINEGuanineME108631764C002421.55150.0419
XANTHINEXanthineME1086601188C003852.53151.0259
2',4'-DIHYDROXYACETOPHENONE2',4'-DihydroxyacetophenoneME1086056990C036639.44151.0397
2-HYDROXYPHENYLACETIC ACID2-Hydroxyphenylacetic acidME10860611914C019837.76151.0398
3-HYDROXYPHENYLACETATE3-Hydroxyphenylacetic acidME10860812122C055937.64151.0398
3-SULFINO-L-ALANINE3-Sulfino-alanineME1086101549098C006060.82152.0020
ALLANTOINAllantoinME108617204C015510.82157.0364
4-COUMARATEcis-p-Coumaric acidME108611637542C067388.11163.0400
L-PHENYLALANINEPhenylalanineME1086396140C000796.20164.0716
3-(2-HYDROXYPHENYL)PROPANOATE3-(2-Hydroxyphenyl)propanoic acidME108607873C011988.73165.0554
URATEUric acidME1086571175C003661.89167.0207
N-ACETYL-L-LEUCINEN-AcetylleucineME10864775619C029977.71172.0977
N-ACETYL-L-ASPARTIC ACIDN-Acetylaspartic acidME10864665065C010421.59174.0405
C6H12O6-HEXOSE/KETOSE/INOSITOLHexoseME108621--0.75179.0557
L-TYROSINETyrosineME1086406057C000823.39180.0663
HOMOVANILLATEHomovanillic acidME1086341738C055827.48181.0504
hexose alcohol-ME108633--0.73181.0715
4-PYRIDOXATE4-Pyridoxic acidME1086146723C008475.55182.0456
AZELAIC ACIDAzelaic acidME1086192266C082618.54187.0972
N-ACETYL-DL-GLUTAMIC ACIDN-Acetylglutamic acidME108643185-2.20188.0560
ISOCITRIC ACIDIsocitric acidME1086361198C003111.18191.0195
GLUCONIC ACIDGluconic acidME10862710690C002570.72195.0506
CYTIDINECytidineME1086246175C004751.66242.0778
URIDINEUridineME1086586029C002992.87243.0619
THYMIDINE 5'-MONOPHOSPHATETMPME10865512803287-3.78321.0486
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...-ME108620--0.88341.1082
GUANOSINE 5'-MONOPHOSPHATEGMPME1086326804C001441.94362.0504
Disaccharide (6C/6C)-ME108625--0.88377.0851
GLYCOLATEGlycolic acidME108630757C001600.8675.0080
GLYCERALDEHYDE/LACTATE-ME108629--1.2089.0236


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