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Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID
PubChem
Compound_ID
Kegg Id Retention
time/index
m/z ratio
18:0 LYSO-PE (M-H)-LPE 18:0ME1990939547068-22.679481.3164
1-OLEOYL-RAC-GLYCEROL (M+HCOO)-MG 18:1ME1990925283468-22.701356.2902
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME199094439268-0.882164.068
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME199095853180-3.456118.0626
3-(4-HYDROXYPHENYL)LACTATE (M-H)-Hydroxyphenyllactic acidME1990969378-3.802182.0577
3-HYDROXYBENZOATE (M-H)-3-Hydroxybenzoic acidME1990977420-5.05138.0316
4-HYDROXYBENZOATE (M-H)-4-Hydroxybenzoic acidME199098135-4.099138.0315
4-METHYL-2-OXOPENTANOATE (M-H)-KetoleucineME19909970-4.658130.063
5-AMINOPENTANOATE (M-H)-5-Aminopentanoic acidME199100138-0.74117.0782
ADENOSINE (M+HCOO)-AdenosineME19910160961-1.794267.0962
ADPGLUCOSE (M-H)-ADP-glucoseME19910316500-1.025589.0807
ADP-RIBOSE (M-H)-ADP-riboseME19910233576-0.734559.0684
ASPARTATE (M-H)-Aspartic acidME1991045960-0.661133.0378
BEHENIC ACID (M-H)-Behenic acidME1991058215-24.09340.3335
CIS-VACCENIC ACID (M-H)-cis-Vaccenic acidME1991065282761-22.966282.2562
CORTISOL (M+CL)-CortisolME1991075754-13.789362.2094
DEOXYURIDINE (M+HCOO)-DeoxyuridineME19910913712-1.648228.0733
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME1991085958-0.712260.0302
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME199110445580-22.706328.2408
EDTA (M-H)-Edetic acidME1991116049-1.205292.0908
ERUCIC ACID (M-H)-cis-Erucic acidME1991125281116-23.668338.3181
FLAVIN ADENINE DINUCLEOTIDE (M-H)-FADME199113643975-6.348785.1568
FUMARATE (M-H)-Fumaric acidME199114444972-1.265116.0111
GDPMANNOSE (M-H)-GDP-mannoseME19911518396-0.863605.0748
GIBBERELLIC ACID [ISTD] (M+CL)-Gibberellin A3ME1991166466-8.49346.1414
GIBBERELLIC ACID [ISTD] (M-H)-Gibberellin A3ME1991176466-8.493346.1421
GLUCOSE (M+CL)-GlucoseME1991185793-0.668180.0651
GLUCURONIC ACID (M-H)-Glucuronic acidME19911994715-0.679194.0406
GLUTAMATE (M-H)-Glutamic acidME19912033032-0.663147.0525
GLUTARATE (M-H)-Glutaric acidME199121743-2.036132.0422
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME19912265359-1.36612.1521
GLYCEROL 2-PHOSPHATE (M-H)-sn-Glycero-2-phosphateME1991232526-0.676172.0146
GLYCOCHOLATE (M-H)-Glycocholic acidME19912410140-18.843465.3081
GUANOSINE 5'-PHOSPHATE (M-H)-GMPME1991256804-0.996363.0519
HEPTADECANOATE (M-H)-Margaric acidME19912610465-23.025270.2555
HEXACOSANOIC ACID (M-H)-Cerotic acidME19912710469-25.642396.396
HYODEOXYCHOLATE (M-H)-Hyodeoxycholic acidME1991285283820-22.909392.295
INOSINE 5'-PHOSPHATE (M-H)-IMPME1991308582-0.991348.0498
INOSINE (M-H)-InosineME1991296021-1.835268.0814
ISOLEUCINE (M-H)-IsoleucineME1991316306-1.514131.0945
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME199133227-5.335138.0447
LAURIC ACID (M-H)-Lauric acidME1991343893-21.772200.1779
LEUCINE (M-H)-LeucineME1991356106-1.542131.0945
LIGNOCERIC ACID (M-H)-Lignoceric acidME19913611197-24.748368.3651
LINOLEATE (M-H)-Linoleic acidME1991375280450-22.732280.2409
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME19913216217285-3.633206.0843
LUMICHROME (M-H)-LumichromeME1991385326566-10.934242.0802
LYSINE (M-H)-LysineME1991395962-0.585146.1052
MANNITOL (M-H)-MannitolME1991406251-0.674182.079
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME199141446101-0.684221.0916
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME199142448580-4.038191.0613
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME19914388064-1.503131.0581
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME19914474839-7.683207.0889
N-ACETYLNEURAMINATE (M-H)-N-Acetylneuraminic acidME199145439197-0.688309.1066
OROTATE (M-H)-Orotic acidME199146967-0.814156.0161
OXALOACETATE (M-H)-[-H2O]Oxaloacetic acidME199147970-0.589132.0038
PALMITATE (M-H)-Palmitic acidME199148985-22.853256.2405
PALMITOLEIC ACID (M-H)-Palmitoleic acidME199149445638-22.6254.2251
PHTHALATE (M-H)-Phthalic acidME1991501017-4.792166.0249
PIMELIC ACID (M-H)-Pimelic acidME199151385-5.666160.0733
PROSTAGLANDIN E2 (M+CL)-PGE2ME1991525280360-16.766352.2251
PROSTAGLANDIN E2 (M-H)-[-H2O]PGE2ME1991535280360-16.768352.2243
PURINE (M-H)-PurineME1991541044-1.505120.0435
PYRUVATE (M-H)-Pyruvic acidME1991551060-0.74188.017
RETINOATE (M-H)-Retinoic acidME199156444795-22.26300.2098
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROP...MimosineME199089440473-0.679198.0628
(S)-3-METHYL-2-OXOPENTANOATE (M-H)-3-Methyl-2-oxovaleric acidME19909047-4.253130.0632
SALICYLATE (M-H)-Salicylic acidME199157338-8.214138.0316
(S)-DIHYDROOROTATE (M-H)-4,5-Dihydroorotic acidME1990911149667-0.712158.0344
SEBACIC ACID (M-H)-Sebacic acidME1991585192-12.94202.1205
SN-GLYCERO-3-PHOSPHOCHOLINE (M+HCOO)-sn-Glycero-3-phosphocholineME199159439285-0.715257.1005
STEARATE (M-H)-Stearic acidME1991605281-23.193284.2722
SUCCINATE (M-H)-Succinic acidME1991611110-1.304118.0269
THYMIDINE 5'-MONOPHOSPHATE (M-H)-TMPME19916312803287-1.529322.0583
THYMIDINE (M+CL)-ThymidineME1991625789-2.735242.0898
TRANS-ACONITATE (M-H)-trans-Aconitic acidME199164444212-1.131174.0165
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME19916514925-1.327176.0302
TYROSINE (M-H)-TyrosineME1991666057-1.355181.0736
UDP-N-ACETYL-D-GALACTOSAMINE (M-H)+[-H2O]UDP-N-acetylgalactosamineME19916723724461-1.025607.0926
URIDINE-5-MONOPHOSPHATE (M-H)-UMPME1991696030-0.857324.0364
URIDINE (M-H)-UridineME1991686029-1.366244.0716
VALINE (M-H)-ValineME1991706287-0.757117.0782
XANTHINE (M-H)-XanthineME1991711188-1.264152.0336
XANTHOSINE 5'-PHOSPHATE (M-H)-XMPME19917273323-1.028364.043


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
1-METHYLNICOTINAMIDE M+1-Methyl nicotinamideME199173457-0.67137.07
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME19917480220-2.514166.0478
1-OLEOYL-RAC-GLYCEROL (M+H)+[-H2O]MG 18:1ME1991755283468-22.66356.2918
1-OLEOYL-RAC-GLYCEROL (M+NA)+MG 18:1ME1991765283468-22.738356.2929
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME199177101-4.795122.0368
5-AMINOPENTANOATE (M+H)+5-Aminopentanoic acidME199179138-0.733117.0783
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME199180439280-1.801220.0847
5'-METHYLTHIOADENOSINE (M+NA)+5'-MethylthioadenosineME199178439176-4.512297.0902
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME1991826083-1.014347.0599
ADENOSINE (M+H)+AdenosineME19918160961-1.803267.0964
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME19918314985-24.537430.3775
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME1991842266-10.751188.1035
BILIVERDIN (M+H)+BiliverdinME1991855280353-18.657582.2518
BIS(2-ETHYLHEXYL)PHTHALATE (M+NA)+Bis(2-ethylhexyl)phthalateME1991868343-23.13390.2776
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME199187213144-2.962231.147
CARNITINE (M+H)+CarnitineME19918810917-0.677161.1032
CHOLESTEROL (M+H)+[-H2O]CholesterolME1991895997-24.632386.3551
CHOLINE M+CholineME199190305-0.657104.1065
CHOLINE PHOSPHATE (M+NA)+Choline phosphateME1991911014-0.644183.0651
CITRATE (M+NA)+Citric acidME199192311-1.053192.027
CORTISOL (M+H)+CortisolME1991935754-13.827362.2067
CORTISOL (M+NA)+CortisolME1991945754-13.824362.2067
CREATINE (M+H)+CreatineME199195586-0.693131.0687
CREATININE (M+H)+CreatinineME199196588-0.688113.0583
DECANOATE (2M+NA)+Capric acidME1991972969-22.761172.1459
DGMP (M+H)+dGMPME1991986994968-1.319347.0597
ELAIDIC ACID (M+H)+Elaidic acidME199199637517-22.95282.2553
ETHANOLAMINE PHOSPHATE (M+NA)+PhosphoethanolamineME1992001015-0.759141.0193
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+gamma-GlutamylcysteineME199201123938-1.006250.0601
GIBBERELLIC ACID [ISTD] (2M+NA)+Gibberellin A3ME1992026466-8.518346.1397
GLUTAMATE (M+H)+[-H2O]Glutamic acidME19920333032-0.665147.0527
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME19920465359-1.364612.1531
GUANINE (M+H)+GuanineME199205764-0.928151.0507
GUANOSINE (M+H)+GuanosineME1992066802-1.86283.0921
HIPPURATE (M+H)+Hippuric acidME199207464-4.796179.0585
INOSINE 5'-PHOSPHATE (M+H)+IMPME1992088582-0.991348.0504
INOSINE 5'-PHOSPHATE (M+NA)+IMPME1992098582-0.989348.0464
ISOLEUCINE (M+H)+IsoleucineME1992106306-1.523131.0942
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME199211169235-4.592245.1616
KYNURENINE (M+H)+KynurenineME199212161166-2.229208.083
L-ARGININE (M+H)+ArginineME1992136322-0.643174.1103
L-ARGININE (M+NA)+ArginineME1992146322-0.629174.111
L-HISTIDINE (M+H)+HistidineME1992156274-0.647155.0682
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME19921616217285-3.656206.0849
LYSINE (M+H)+LysineME1992175962-0.563146.1055
LYSINE (M+NA)+LysineME1992185962-0.582146.1046
MANNOSE-6-PHOSPHATE (M+NA)+Mannose 6-phosphateME199219439198-0.72260.0279
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME199220448580-4.049191.0599
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME19922165249-0.926147.0532
N-ACETYL-L-ALANINE (M+NA)+N-AcetylalanineME19922288064-1.392131.0573
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME19922375619-7.15173.1071
N-ACETYLNEURAMINATE (M+H)+N-Acetylneuraminic acidME199224439197-0.689309.1022
NAD (M+2H)+2NAD+ME1992265893-1.057663.1097
NAD (M+H)+NAD+ME1992275893-1.047663.1084
NAD (M+NA)+NAD+ME1992285893-1.054663.1057
N-METHYL-D-ASPARTIC ACID (M+NA)+N-Methyl-D-aspartic acidME1992254376-0.655147.0525
NORADRENALINE (M+H)+Xi-NorepinephrineME199229951-0.721169.0724
OLEAMIDE (M+H)+OleamideME1992315283387-22.643281.2699
OLEIC ACID (M+NA)+Oleic acidME199232445639-22.528282.2561
O-PHOSPHOSERINE (M+NA)+DL-O-PhosphoserineME19923068841-0.648185.007
ORNITHINE (M+H)+OrnithineME1992336262-0.562132.0898
PANTOTHENATE (M+H)+Pantothenic acidME1992346613-3.255219.1108
PANTOTHENATE (M+NA)+Pantothenic acidME1992356613-3.254219.1112
PHENYLALANINE (M+H)+PhenylalanineME1992366140-2.389165.0787
PROGESTERONE (M+H)+ProgesteroneME1992375994-19.497314.2231
PROSTAGLANDIN E2 (M+H)+PGE2ME1992385280360-16.772352.2203
PROSTAGLANDIN E2 (M+H)+[-H2O]PGE2ME1992395280360-16.8352.2238
PYRIDOXAMINE (M+H)+PyridoxamineME1992401052-0.582168.0869
RAC-GLYCEROL 1-MYRISTATE (M+H)+[-H2O]MG 14:0ME19924179050-22.147302.245
RAC-GLYCEROL 1-MYRISTATE (M+NA)+MG 14:0ME19924279050-22.171302.2461
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME199243439155-1.554384.1191
SERINE (M+H)+SerineME199244617-1.017105.0415
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME199245439285-0.671257.1017
SPERMIDINE (M+H)+SpermidineME1992461102-0.584145.1577
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME19924752922056-21.855427.3652
SUBERIC ACID (M+NA)+Suberic acidME19924810457-8.256174.0917
TAURINE (M+NA)+TaurineME1992491123-0.654125.0133
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME19925022833575-18.823370.2918
THIAMIN M+[-C6H9NOS]ThiamineME1992511130-0.659265.1104
TRYPTOPHAN (M+H)+TryptophanME1992526305-3.655204.0878
TYROSINE (M+H)+TyrosineME1992536057-1.351181.0721
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME19925423724461-0.841607.0797
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME1992556030-0.871324.0342


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