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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
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20342718631368-25.544761.5946
16:0 LYSO PC (M+CL)-LPC 16:0ME203426460602-22.286495.3339
17ALPHA-HYDROXYPROGESTERONE (M+CL)-17alpha-HydroxyprogesteroneME2034286238-17.864330.2145
17ALPHA-HYDROXYPROGESTERONE (M+CL)-[-H2O]17alpha-HydroxyprogesteroneME2034296238-17.634330.221
18:0 LYSO-PE (M-H)-LPE 18:0ME2034309547068-22.649481.3185
20:0 LYSO PC (M+CL)-LPC 20:0ME20344024779473-22.993551.3969
24:0 SM (D18:1/24:0) (M+CL)-SM 18:1;O2/24:0ME20344144260127-27.963814.6937
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M-H)-dCMPME20343113945-0.816307.0554
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME203434439268-0.683164.0687
2'-DEOXYINOSINE (M+CL)-DeoxyinosineME20343265058-2.121252.0872
2'-DEOXYINOSINE (M-H)-DeoxyinosineME20343365058-2.134252.085
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME203435853180-3.542118.0629
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M-H)-2-Hydroxy-4-(methylthio)butanoic acidME20343611427-3.244150.0324
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME20343711266-1.763104.0472
2-METHYLMALEIC ACID #2 (M-H)-Citraconic acidME203438643798-2.253130.0265
2-OXOADIPIC ACID (M-H)-Oxoadipic acidME20343971-1.297160.0369
3-(4-HYDROXYPHENYL)LACTIC ACID (2M-H)-Hydroxyphenyllactic acidME203442440177-3.845182.0575
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME203443440177-3.845182.0575
3-DEHYDROSHIKIMIC ACID (M-H)-3-DehydroshikimateME203444439774-0.96172.0387
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2034451662-1.578162.0517
3-HYDROXYBENZOIC ACID (M-H)-3-Hydroxybenzoic acidME2034467420-5.036138.0314
3-HYDROXYKYNURENINE (M-H)-HydroxykynurenineME20344711811-1.19224.0776
3-HYDROXYPHENYLACETIC ACID (M-H)-3-Hydroxyphenylacetic acidME20344812122-9.189152.0472
3-HYDROXYPYRUVIC ACID (M-H)-Hydroxypyruvic acidME203449964-0.801104.011
3-METHOXYTYROSINE (M-H)-3-MethoxytyrosineME2034509307-2.047211.0811
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME203451440877-4.47130.0631
3-NITRO-L-TYROSINE (M-H)-NitrotyrosineME20345265124-2.866226.0617
3-OXALOMALIC ACID (M-H)-[-H2O]3-Oxalomalic acidME203453439620-0.687206.0085
3-PHOSPHOGLYCERIC ACID (M-H)-3-Phosphoglyceric acidME203454439183-0.665185.9905
3-SULFINO-L-ALANINE (M-H)-3-Sulfino-alanineME203455109-0.632153.0102
3-UREIDOPROPIONIC ACID (M-H)-Ureidopropionic acidME203456111-0.884132.0515
4-HYDROXYBENZOIC ACID (M-H)-4-Hydroxybenzoic acidME203457135-4.162138.0312
4-HYDROXYPHENYLACETIC ACID (M-H)-4-Hydroxyphenylacetic acidME203458127-4.794152.0468
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20345970-4.88130.0631
4-NITROPHENYL PHOSPHATE (M-H)-4-Nitrophenyl phosphateME203460378-2.465218.9892
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2034616723-1.909183.0522
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME203463138-0.735117.0776
5-HYDROXYINDOLEACETIC ACID (M-H)-5-Hydroxyindoleacetic acidME2034641826-4.179191.0603
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME203465439280-1.817220.0818
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME203462439176-4.557297.0895
5-OXOPROLINE (M-H)-Pyroglutamic acidME2034667405-1.221129.042
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2034676083-0.945347.0626
ADENOSINE 5'-PHOSPHOSULFATE (M-H)-Adenosine phosphosulfateME20346810238-0.781427.0234
ADIPIC ACID (M-H)-Adipic acidME203469196-3.653146.0577
ADP-RIBOSE (M-H)-ADP-riboseME20347033576-0.68559.0721
ALLANTOIN (M-H)-AllantoinME203471439714-0.659158.0441
ALLOPREGNANOLONE (M+CL)-3alpha-Hydroxy-5alpha-pregnan-20-oneME20347292787-20.878318.2592
ALLOPREGNANOLONE (M+CL)-[-H2O]3alpha-Hydroxy-5alpha-pregnan-20-oneME20347392787-20.864318.2599
ALPHA-KETO-GLUTARIC ACID (M-H)-2-Oxoglutaric acidME20347451-0.922146.0216
ARACHIDIC ACID (M-H)-Arachidic acidME20347510467-23.667312.3026
ARACHIDONIC ACID (M-H)-Arachidonic acidME203476444899-22.743304.2409
ASPARTIC ACID (M-H)-Aspartic acidME2034775960-0.61133.0373
AZELAIC ACID (M-H)-Azelaic acidME2034782266-10.754188.1045
BEHENIC ACID (M-H)-Behenic acidME2034798215-24.203340.3343
BENZOIC ACID #2 (M-H)-Benzoic acidME203480243-8.317122.0368
BENZOIC ACID (M-H)-Benzoic acidME203481243-5.063122.0367
BIOTIN (M-H)-BiotinME20348211966127-6.329244.0908
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+CL)--ME20348346891735-23.239643.492
CAPRYLIC ACID (M-H)-Caprylic acidME203484379-10.244144.1144
CHOLIC ACID (M-H)-Cholic acidME203485221493-20.406408.2862
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2034865282768-23.313310.2877
CIS-ACONITIC ACID (M-H)-cis-Aconitic acidME203487643757-1.517174.0166
CITRAMALIC ACID (M-H)-Citramalic acidME203488441696-1.439148.0364
CITRIC ACID (M-H)-Citric acidME203489311-1.048192.0269
CITRULLINE (M-H)-CitrullineME2034909750-0.648175.0949
CORTISOL 21-ACETIC ACID (M+CL)-Cortisol 21-acetateME2034915744-15.748404.2252
CREATINE (M-H)-CreatineME203492586-0.66131.0687
CYSTATHIONINE (M-H)-CystathionineME203493439258-0.701222.0664
CYSTEIC ACID (M-H)-Cysteic acidME20349472886-0.684187.012
CYTIDINE 5'-DIPHOSPHOCHOLINE (M-H)-CDP-cholineME20349513804-0.699488.1163
DEHYDROASCORBIC ACID (M+CL)-L-Dehydroascorbic acidME203500440667-0.876174.0156
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME20350112594-15.461368.1667
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20350213730-1.833251.1024
DEOXYCHOLIC ACID (2M-H)-Deoxycholic acidME203503222528-21.783392.2915
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME203504222528-21.792392.2938
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME203505222528-21.8392.2926
DEOXYURIDINE (M+CL)-DeoxyuridineME20350613712-1.63228.075
DEOXYURIDINE (M-H)-DeoxyuridineME20350713712-1.729228.075
DEPHOSPHO-COA (M-H)-3'-Dephospho-CoAME203508444485-3.604687.157
DGDP (M-H)-dGDPME203509439220-1.346427.0376
D-GLUCOSAMINE 6-SULFATE (M-H)-Glucosamine 6-sulfateME2034973330962-0.666259.0325
D-GLUCOSAMINE (M+CL)-GlucosamineME203496439213-0.593179.0803
D-GLUCOSE 6-PHOSPHATE (M-H)-Glucose 6-phosphateME2034985958-0.673260.0267
DIHYDROXYFUMARIC ACID (M-H)-(E)-2,3-Dihydroxybut-2-enedioic acidME20351054678503-0.679147.9993
D-MANNOSAMINE (M-H)-[-H2O]2-Amino-2-deoxy-D-mannoseME2034993034366-0.696179.0795
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME203511445580-22.73328.2409
DUMP (M-H)-dUMPME20351265063-0.971308.0402
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME203513115196-20.025480.3461
ERUCIC ACID (M-H)-cis-Erucic acidME2035145281116-23.738338.3183
ETHYLMALONIC ACID (M-H)-Ethylmalonic acidME20351511756-2.731132.042
FERULATE #2 (M-H)-trans-Ferulic acidME203516445858-8.085194.0567
FLAVIN ADENINE DINUCLEOTIDE (M-H)-FADME203517643975-6.343785.1574
FUMARIC ACID (M-H)-Fumaric acidME203518444972-1.264116.0103
GAMMA-L-GLUTAMYL-L-CYSTEINE (M-H)-gamma-GlutamylcysteineME203519123938-0.976250.0614
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME203520447277-23.299450.1873
GLUCARIC ACID (M-H)-Glucaric acidME20352133037-0.766210.0383
GLUCONIC ACID (M-H)-Gluconic acidME20352210690-0.68196.0566
GLUCOSE (M+CL)-GlucoseME2035235793-0.643180.0635
GLUCURONIC ACID (M-H)-Glucuronic acidME20352494715-0.617194.0422
GLUTAMIC ACID (M-H)-Glutamic acidME20352533032-0.66147.0543
GLUTAMINE (M-H)-GlutamineME2035265961-0.61146.0689
GLUTARIC ACID (M-H)-Glutaric acidME203527743-2.105132.042
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20352865359-1.403612.1512
GLYCERIC ACID (M-H)-Glyceric acidME203529439194-0.834106.0267
GLYCEROL 2-PHOSPHATE (M-H)-sn-Glycero-2-phosphateME2035302526-0.834172.0133
GLYCEROL MYRISTATE (M+CL)-MG 14:0ME20353179050-22.113302.245
GLYCINE (M-H)-GlycineME203532750-0.70675.0327
GUANIDINOACETIC ACID (M-H)-Guanidoacetic acidME203533763-0.737117.055
GUANINE (M-H)-GuanineME203534764-0.829151.0485
GUANOSINE 5'-PHOSPHATE (M-H)-GMPME2035376804-0.997363.0618
GUANOSINE (M+CL)-GuanosineME2035356802-1.864283.0941
GUANOSINE (M-H)-GuanosineME2035366802-1.873283.0912
HEPTADECANOIC ACID (M-H)-Margaric acidME20353810465-23.048270.2558
HIPPURIC ACID (M-H)-Hippuric acidME203539464-4.924179.0581
HOMOCYSTINE (M-H)-HomocystineME20354010010-0.719268.0532
HOMOGENTISIC ACID (M-H)-Homogentisic acidME203541780-2.305168.0427
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2035421738-5.854182.0582
HOMOVANILLIC ACID (M-H)-Homovanillic acidME2035431738-5.874182.0558
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2035445283820-22.857392.2953
HYPOXANTHINE (M-H)-HypoxanthineME203545790-1.102136.0377
INDICAN (2M+CL)-[-H2O]IndicanME203546441564-0.706295.1071
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2035496831-0.738428.0171
INOSINE 5'-PHOSPHATE (M-H)-IMPME2035508582-0.962348.0491
INOSINE (M+CL)-InosineME2035476021-1.875268.0808
INOSINE (M-H)-InosineME2035486021-1.875268.0809
ISOCITRIC ACID (M-H)-Isocitric acidME2035515318532-0.746192.027
ISOLEUCINE (M-H)-IsoleucineME2035526306-1.566131.094
ITACONIC ACID (M-H)-Itaconic acidME203553811-1.884130.0264
KYNURENIC ACID (M-H)-Kynurenic acidME2035543845-5.033189.041
KYNURENINE (M-H)-KynurenineME203555161166-2.236208.082
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME203562227-5.463138.0445
LANTHIONINE (M-H)-LanthionineME203563102950-0.684208.0553
L-ARGININE (M-H)-ArginineME2035566322-0.606174.1112
LAURIC ACID (M-H)-Lauric acidME2035643893-21.84200.1775
L-CARNITINE (M+CL)-CarnitineME20355710917-0.636161.1035
LEUKOTRIENE B4 (M-H)-LTB4ME2035655280492-20.678336.23
L-FUCOSE 1-PHOSPHATE (M-H)-Fucose 1-phosphateME203558439871-0.782244.0315
L-HISTIDINE (M-H)-HistidineME2035596274-0.601155.069
LIGNOCERIC ACID (M-H)-Lignoceric acidME20356611197-24.919368.3655
LINOLEIC ACID (M-H)-Linoleic acidME2035675280450-22.757280.2406
L-METHIONINE SULFOXIMINE (M-H)-Methionine sulfoximineME20356089034-0.681180.0604
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20356116217285-3.68206.0841
LYSINE (M-H)-LysineME2035685962-0.563146.1048
MALEIC ACID (M-H)-Maleic acidME203570444266-1.016116.0108
MALIC ACID (M-H)-Malic acidME203572222656-0.826134.0217
MALIC ACID (M-H)+[-H2O]Malic acidME203571222656-0.937134.0226
MANNITOL (M-H)-MannitolME2035736251-0.612182.077
METHIONINE (M-H)-MethionineME2035746137-0.99149.0493
METHYL BETA-D-GALACTOSIDE (M+CL)-Methyl beta-D-galactosideME20357594214-0.756194.0783
METHYLMALONIC ACID (M-H)-Methylmalonic acidME203577487-1.541118.0265
METHYL VANILLATE (M-H)-Methyl vanillateME20357619844-9.627182.0579
MEVALONIC ACID (M-H)-Mevalonic acidME203578439230-1.622148.0725
M-HYDROXYMANDELIC ACID (2M-H)-3-Hydroxymandelic acidME20356986957-2.044168.0403
MYRISTIC ACID (M-H)-Myristic acidME20357911005-22.495228.2088
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2035805281119-22.163226.1928
N-ACETYL-ASPARTIC ACID (M-H)-N-Acetylaspartic acidME20358165065-0.994175.0479
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME203582446101-0.675221.0903
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2035851097-0.925117.0422
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20358388064-1.481131.0573
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20358474839-7.855207.0888
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME203586444885-0.681309.1043
NAD (M-H)-NAD+ME2035915893-1.009663.1044
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]Guanidinosuccinic acidME203587439918-0.751175.0628
N-AMIDINO-ASPARTIC ACID (M-H)-Guanidinosuccinic acidME203588439918-0.642175.056
NERVONIC ACID (M-H)-Nervonic acidME2035925281120-24.282366.3499
NICOTINIC ACID MONONUCLEOTIDE (M-H)-Nicotinic acid mononucleotideME2035934484-0.69335.0467
N-NITROSODIETHANOLAMINE (M+CL)-N-NitrosodiethanolamineME20358914223-1.084134.0709
N-OLEOYLGLYCINE (M-H)-N-Oleoyl glycineME2035906436908-22.578339.2762
OLEIC ACID (M-H)-Oleic acidME203596445639-22.963282.2564
OLEOYL-GLYCEROL (M+CL)-MG 18:1ME2035975319879-22.749356.2992
OMEGA-HYDROXYDODECANOIC ACID (M-H)-12-Hydroxy lauric acidME20359879034-17.04216.1715
O-PHOSPHO-SERINE (2M-H)+DL-O-PhosphoserineME20359468841-0.757185.0056
OPHTHALMIC ACID (M-H)-Ophthalmic acidME2035997018721-1.245289.1262
ORNITHINE (M-H)-OrnithineME2036006262-0.599132.0892
OROTIC ACID (M-H)-Orotic acidME203601967-0.706156.0166
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME203595439406-0.903219.0728
OXALIC ACID (M-H)-Oxalic acidME203602971-0.70389.9959
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME203603970-0.561132.0035
OXOMALONIC ACID (M-H)-Mesoxalic acidME20360410132-0.671117.9886
PALMITIC ACID (M-H)-Palmitic acidME203605985-22.882256.2406
PALMITOLEIC ACID (M-H)-Palmitoleic acidME203606445638-22.636254.2246
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2036076613-3.383219.1104
PANTOTHENIC ACID (M-H)-Pantothenic acidME2036086613-3.376219.1104
PHENYLALANINE (M-H)-PhenylalanineME2036096140-2.568165.0786
PHENYLPYRUVIC ACID (M-H)-Phenylpyruvic acidME203610997-5.514164.0469
PHTHALIC ACID (M-H)-Phthalic acidME2036111017-4.947166.0272
PHYTANIC ACID (M-H)-Phytanic acidME20361210380830-23.321312.299
PICOLINIC ACID (M-H)-Picolinic acidME2036131018-0.804123.0306
PIMELIC ACID (M-H)-Pimelic acidME203614385-5.714160.073
PINITOL (M+CL)-PinitolME203615164619-0.675194.0789
PIPECOLIC ACID (M-H)-Pipecolic acidME203616849-0.793129.0768
PROPENOIC ACID (M-H)-Propenoic acidME2036176581-1.26172.0216
PROSTAGLANDIN E2 (M-H)-PGE2ME2036185280360-16.74352.2243
PROSTAGLANDIN E2 (M-H)-[-H2O]PGE2ME2036195280360-16.73352.2238
PTERIN (M-H)-PterinME20362073000-1.575163.0503
PURINE (M-H)-PurineME2036211044-1.391120.0429
PYRROLE-2-CARBOXYLIC ACID (M-H)-Pyrrole-2-carboxylic acidME20362212473-3.418111.0315
PYRUVIC ACID (M-H)-Pyruvic acidME2036231060-0.71588.0164
QUINIC ACID (M-H)-Quinic acidME2036246508-0.689192.0613
RAFFINOSE (M+CL)-RaffinoseME203625439242-0.684504.1685
RETINOIC ACID (M-H)-Retinoic acidME203626444795-22.33300.2098
RIBITOL (M+CL)-RibitolME20362794154-0.65152.0663
RIBOSE (M+CL)-RiboseME2036285779-0.672150.053
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME203629439155-1.417384.1287
SALICYLIC ACID (M-H)-Salicylic acidME203630338-3.834138.0313
SEBACIC ACID (M-H)-Sebacic acidME2036315192-12.977202.1205
SERINE (M-H)-SerineME203632617-0.61105.0433
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-sn-Glycero-3-phosphocholineME203633439285-0.678257.1059
STACHYOSE (M+CL)-StachyoseME203634439531-0.683666.2115
STEARIC ACID (M-H)-Stearic acidME2036355281-23.229284.2721
SUBERIC ACID (M-H)-Suberic acidME20363610457-8.087174.0879
SUCCINIC ACID (M-H)-Succinic acidME2036371110-1.34118.0264
SUCROSE (M+CL)-SucroseME2036385988-0.684342.1178
TAURINE (M-H)-TaurineME2036391123-0.607125.0149
TAUROLITHOCHOLIC ACID (M-H)-Taurolithocholic acidME203640439763-21.83483.2993
TEREPHTHALIC ACID (M-H)-Terephthalic acidME2036417489-5.738166.0264
THYMIDINE (M+CL)-ThymidineME2036425789-2.833242.09
THYMIDINE (M-H)-ThymidineME2036435789-2.831242.0891
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME203644444212-1.235174.0162
TRICARBALLYLIC ACID (M-H)-1,2,3-Propanetricarboxylic acidME20364514925-1.355176.0307
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME20364614925-1.315176.0313
TRICOSANOIC ACID (M-H)-Tricosylic acidME20364717085-24.536354.3497
TRIDECANOIC ACID (M-H)-Tridecylic acidME20364812530-22.204214.1931
TRYPTOPHAN (2M-H)-TryptophanME2036496305-3.678204.0874
TRYPTOPHAN (M-H)-TryptophanME2036506305-3.679204.0865
TYROSINE (M-H)-TyrosineME2036516057-1.339181.0734
UDP-GLUCOSE (M-H)-UDP-glucoseME20365253477679-1.232566.0561
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-UDP-N-acetylglucosamineME203653445675-1.209607.0814
URACIL 5-CARBOXYLIC ACID (M-H)-Uracil-5-carboxylic acidME2036546971263-1.234156.0195
URIC ACID (M-H)-Uric acidME2036551175-1.004168.0272
URIDINE-5-MONOPHOSPHATE #2 (M-H)-UMPME2036586030-0.857324.0309
URIDINE (M+CL)-UridineME2036566029-1.353244.0695
URIDINE (M-H)-UridineME2036576029-1.388244.0691
UROCANIC ACID (M-H)-Urocanic acidME203659736715-0.939138.042
VALINE (M-H)-ValineME2036606287-0.866117.0773
XANTHINE (M-H)-XanthineME2036611188-1.295152.033
XANTHOSINE (M-H)-XanthosineME20366264959-2.361284.0766
XANTHURENIC ACID (M-H)-Xanthurenic acidME2036635699-4.593205.0369
ZEATIN [ISTD] (M+CL)-trans-ZeatinME203664449093-3.949219.1119
ZEATIN [ISTD] (M-H)-trans-ZeatinME203665449093-3.953219.1118


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
10-HYDROXYDECANOIC ACID (M+NA)+10-Hydroxydecanoic acidME2036716991989-13.523188.1437
11-DEOXYCORTICOSTERONE (M+NA)+11-DeoxycorticosteroneME2036726166-17.042330.2252
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20367518631368-25.538761.5945
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20367618631368-25.524761.6042
16:0 LYSO PC (M+H)+LPC 16:0ME203673460602-22.294495.3336
16:0 LYSO PC (M+NA)+LPC 16:0ME203674460602-22.28495.3338
17ALPHA-HYDROXYPROGESTERONE (M+H)+17alpha-HydroxyprogesteroneME2036776238-17.647330.219
17BETA-HYDROXYANDROSTAN-3-ONE (M+NA)+5alpha-DihydrotesosteroneME20367810635-18.496290.2223
18:0 LYSO-PE (2M+H)+LPE 18:0ME2036799547068-22.617481.3109
18:0 LYSO-PE (2M+NA)+LPE 18:0ME2036809547068-22.735481.3085
18:0 LYSO-PE (M+H)+LPE 18:0ME2036819547068-22.716481.3174
18:0 LYSO-PE (M+NA)+LPE 18:0ME2036829547068-22.72481.3218
1-METHYLADENOSINE (M+H)+1-MethyladenosineME20366627476-3.082281.1132
1-METHYLNICOTINAMIDE M+1-Methyl nicotinamideME203667457-0.616137.0697
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20366880220-2.57166.0483
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20366980220-2.566166.0485
1-PHENYLETHANOL (M+H)+[-H2O]1-PhenylethanolME2036707409-2.902122.0733
20:0 LYSO PC (M+H)+LPC 20:0ME20369424779473-22.984551.3966
20:0 LYSO PC (M+NA)+LPC 20:0ME20369524779473-22.98551.397
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME20369644260127-27.928814.6952
24:0 SM (D18:1/24:0) (M+NA)+SM 18:1;O2/24:0ME20369744260127-27.957814.6939
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20369865094-22.796402.3556
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+PhosphoethanolamineME2036871015-0.629141.0184
2-AMINOPHENOL (M+H)+2-AminophenolME2036885801-1.069109.0524
2'-DEOXYCYTIDINE 5'-MONOPHOSPHATE (M+NA)+dCMPME20368313945-0.744307.0508
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME203689439268-0.711164.0673
2'-DEOXYINOSINE (2M+NA)+DeoxyinosineME20368465058-2.138252.0885
2'-DEOXYINOSINE (M+H)+DeoxyinosineME20368565058-2.142252.0888
2'-DEOXYINOSINE (M+NA)+DeoxyinosineME20368665058-2.137252.0901
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+2-Hydroxy-3-methylbutyric acidME203690853180-3.552118.0634
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+2-Hydroxy-4-(methylthio)butanoic acidME20369111427-3.425150.0321
2-METHOXYESTRADIOL (M+H)+[-H2O]2-Methoxyestradiol-17betaME20369266414-17.177302.1869
2-METHYLMALEIC ACID #2 (M+H)+Citraconic acidME203693643798-2.448130.0272
3-(4-HYDROXYPHENYL)LACTIC ACID (M+NA)+Hydroxyphenyllactic acidME203699440177-3.917182.0572
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+3-Amino-4-hydroxybenzoic acidME20370065083-1.05153.0405
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Aminoisobutanoic acidME20370164956-1.727103.0633
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]3-DehydroshikimateME203702439774-0.936172.0389
3-DEHYDROSHIKIMIC ACID (M+NA)+3-DehydroshikimateME203703439774-0.835172.0404
3-DEHYDROXYCARNITINE (M+H)+3-DehydroxycarnitineME203704725-0.7145.1074
3-HYDROXY-3-METHYLGLUTARIC ACID (M+H)+[-H2O]3-Hydroxymethylglutaric acidME2037051662-1.687162.052
3-HYDROXY-3-METHYLGLUTARIC ACID (M+NA)+3-Hydroxymethylglutaric acidME2037061662-1.662162.0521
3-HYDROXYANTHRANILIC ACID (M+H)+3-Hydroxyanthranilic acidME20370786-2.971153.0433
3-HYDROXYKYNURENINE (M+H)+HydroxykynurenineME20370811811-1.243224.0802
3-HYDROXYMORPHINAN (M+H)+-ME2037095463854-7.311243.1579
3-HYDROXYPHENYLACETATE #2 (M+H)+3-Hydroxyphenylacetic acidME20371012122-8.883152.0462
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2037119307-2.044211.0833
3-METHYLBUTANOL (M+NA)+IsopentanolME20371231260-8.43688.0901
3-METHYLHISTAMINE (M+H)+3-MethylhistamineME20371369520-0.509125.0933
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20371470639-2.216166.0493
3-NITRO-L-TYROSINE (M+H)+NitrotyrosineME20371565124-2.868226.0592
3-UREIDOPROPIONIC ACID (M+H)+Ureidopropionic acidME203716111-0.834132.0511
4-ACETAMIDOBUTANOIC ACID (M+NA)+4-Acetamidobutanoic acidME20371718189-1.859145.0744
4-ACETAMINOPHEN SULFATE (M+H)+Paracetamol sulfateME20371883939-2.394231.0209
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]VanylglycolME203719688030-2.378184.0746
4-HYDROXYBENZALDEHYDE (M+H)+4-HydroxybenzaldehydeME203720126-5.077122.0367
4-METHYL-2-OXOVALERIC ACID (M+NA)+KetoleucineME20372170-4.841130.0635
4-METHYLCATECHOL (M+NA)+4-MethylcatecholME2037229958-2.601124.0547
4-PYRIDOXIC ACID (M+H)+4-Pyridoxic acidME2037236723-1.946183.0516
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME20372410243-5.066173.0458
5-AMINOLEVULINIC ACID (M+NA)+5-Amino-levulinic acidME203726137-0.683131.0574
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME203727138-0.698117.078
5-HYDROXYTRYPTOPHAN (2M+H)+5-Hydroxy-tryptophanME203728439280-1.812220.0858
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME203729439280-1.826220.0814
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME203725439176-4.569297.0902
5-OXOPROLINE (M+H)+Pyroglutamic acidME2037307405-1.223129.0443
5-VALEROLACTONE (M+H)+5-ValerolactoneME20373110953-2.277100.0523
ABRINE (M+H)+N(alpha)-Methyl-tryptophanME203732160511-3.722218.1014
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2037331983-3.056151.0634
ACETAMINOPHEN (TN TYLENOL) (M+NA)+AcetaminophenME2037341983-3.003151.0633
ACETOACETIC ACID (M+H)+Acetoacetic acidME20373596-2.652102.0316
ACETOACETYL-COA (M+H)+Acetoacetyl-CoAME20373692153-21.004851.1284
ACETYLCARNITINE (M+H)+CAR 2:0ME20373718230-0.929203.1153
ACETYLCHOLINE M+AcetylcholineME203738187-3.963146.1167
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2037396083-0.946347.0642
ADIPIC ACID (M+H)+Adipic acidME203740196-3.682146.0554
ADIPIC ACID (M+NA)+Adipic acidME203741196-3.591146.0589
ADP-RIBOSE (M+H)+ADP-riboseME20374233576-0.676559.0792
AHBA (M+H)+3-Amino-5-hydroxybenzoic acidME203743127115-1.149153.0412
AICAR (M+H)+AICARME20374465110-0.744338.0642
ALANINE (M+H)+AlanineME2037455950-1.09789.0467
ALDOSTERONE (M+NA)+AldosteroneME2037465839-12.789360.1889
ALLANTOIN (M+H)+AllantoinME203747439714-0.643158.0457
ALLANTOIN (M+NA)+AllantoinME203748439714-0.665158.0447
ALLOPREGNANOLONE (M+NA)+3alpha-Hydroxy-5alpha-pregnan-20-oneME20374992787-20.888318.2621
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+Galactose 1-phosphateME203750123912-0.577260.029
ALPHA-KETO-GLUTARIC ACID (M+H)+[-H2O]2-Oxoglutaric acidME20375151-1.051146.0213
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20375214985-24.625430.3805
ANDROSTERONE (M+NA)+AndrosteroneME2037535879-19.683290.2301
ARACHIDONYLCARNITINE (*) M+CAR 20:4ME203754101431140-23.506504.4133
ASPARAGINE (M+H)+AsparagineME2037556267-0.664132.0515
ASPARTIC ACID (M+NA)+Aspartic acidME2037565960-0.638133.0355
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+AnserineME203757112072-0.679240.121
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+AnserineME203758112072-0.716240.1257
BILIVERDIN (M+H)+BiliverdinME2037595280353-18.566582.249
BILIVERDIN (M+NA)+BiliverdinME2037605280353-18.689582.2506
BIOTIN (M+H)+[-H2O]BiotinME20376111966127-6.21244.0928
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2037628343-23.135390.2781
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2037638343-23.134390.2783
BIS-GAMMA-GLUTAMYLCYSTINE (M+H)+Bis-gamma-glutamylcystineME20376490657696-1.075498.1053
BIURET (M+H)+BiuretME2037657913-0.775103.039
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+-ME20376646891735-23.235643.4949
CAFFEIC ACID (M+H)+Caffeic acidME2037671549111-5.199180.0452
CAFFEIC ACID (M+H)+[-H2O]Caffeic acidME2037681549111-5.195180.0439
CAFFEINE (M+H)+CaffeineME2037692519-5.77194.0807
CAFFEINE (M+NA)+CaffeineME2037702519-5.766194.0797
CALCIDIOL (M+H)+25-Hydroxyvitamin D3ME2037715283731-22.495400.3297
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2037725283731-22.619400.3284
CALCIDIOL (M+NA)+25-Hydroxyvitamin D3ME2037735283731-22.523400.3338
CARNITINE (M+H)+CarnitineME20377410917-0.634161.1039
CARNOSINE (M+H)+CarnosineME203775439224-0.624226.1075
CHLORPHENIRAMINE (M+H)+ChlorphenamineME2037762725-8.937274.1247
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME20377865076-23.893466.3113
CHOLESTEROL (M+H)+[-H2O]CholesterolME2037775997-24.702386.3557
CHOLIC ACID (M+NA)+Cholic acidME203779221493-20.421408.2832
CHOLINE M+CholineME203780305-0.616104.1075
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2037811014-0.637183.0659
CHOLINE PHOSPHATE (M+NA)+Choline phosphateME2037821014-0.671183.0629
CITRIC ACID (M+H)+[-H2O]Citric acidME203783311-1.049192.0253
CITRIC ACID (M+NA)+Citric acidME203784311-1.048192.0275
CITRULLINE (M+H)+CitrullineME2037859750-0.701175.0955
CITRULLINE (M+NA)+CitrullineME2037869750-0.678175.0952
CMP (M+H)+CMPME2037876131-0.847323.0538
CORTISOL 21-ACETIC ACID (M+H)+[-H2O]Cortisol 21-acetateME2037895744-15.733404.2182
CORTISOL 21-ACETIC ACID (M+NA)+Cortisol 21-acetateME2037905744-15.742404.2217
CORTISOL (M+NA)+CortisolME2037885754-13.884362.2119
CREATINE (M+H)+CreatineME203791586-0.697131.0703
CREATININE (M+H)+CreatinineME203792588-0.724113.0575
CYCLOPENTANONE (2M+K)+CyclopentanoneME2037938452-3.31384.0575
CYSTATHIONINE (M+H)+CystathionineME203794439258-0.649222.0654
CYSTATHIONINE (M+NA)+CystathionineME203795439258-0.667222.0646
CYSTEIC ACID (M+H)+Cysteic acidME20379672886-0.657187.0171
CYSTINE (M+NA)+CystineME2037976857538-0.677240.0203
CYTIDINE (2M+H)+CytidineME2037986175-0.692243.083
DECANOIC ACID (2M+NA)+Capric acidME2038032969-22.792172.1453
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME20380411953821-15.107315.2389
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20380557357170-13.766313.2251
DEHYDROEPIANDROSTERONE (M+H)+DehydroepiandrosteroneME2038065881-17.268288.206
DEOXYADENOSINE (M+H)+DeoxyadenosineME20380713730-1.898251.1025
DEOXYCHOLIC ACID (M+H)+Deoxycholic acidME203808222528-21.483392.292
DEOXYCHOLIC ACID (M+H)+[-H2O]Deoxycholic acidME203809222528-21.623392.2922
DEOXYCHOLIC ACID (M+NA)+Deoxycholic acidME203810222528-21.5392.2938
DEOXYCORTICOSTERONE ACETATE (M+NA)+Deoxycorticosterone acetateME2038115952-19.09372.2239
DEOXYCYTIDINE (M+NA)+DeoxycytidineME20381213711-0.953227.0912
DEOXYURIDINE (M+NA)+DeoxyuridineME20381313712-1.727228.0768
DEPHOSPHO-COA (M+H)+3'-Dephospho-CoAME203814444485-3.675687.1623
DESMOSTEROL (M+H)+[-H2O]DesmosterolME203815439577-24.264384.3397
D-GALACTOSAMINE (M+H)+GalactosamineME2037993034366-0.693179.0788
D-GALACTOSAMINE (M+H)+[-H2O]GalactosamineME2038003034366-0.673179.0829
D-GALACTOSAMINE (M+K)+GalactosamineME2038013034366-0.668179.0816
D-GLUCOSE 6-PHOSPHATE (M+NA)+Glucose 6-phosphateME2038025958-0.676260.029
DIHYDROOROTIC ACID (M+H)+Dihydroorotic acidME2038161149667-0.665158.0318
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]DG 16:0_16:0ME203817644078-26.153568.5082
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20381853481671-16.743342.2632
DODECENOYLCARNITINE (*) M+CAR 12:1ME20381953481671-16.271342.2591
DOXYLAMINE (M+H)+DoxylamineME2038203162-5.976270.1707
DUMP (M+H)+dUMPME20382165063-0.966308.0409
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME20382253477833-22.163455.3941
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20382371464507-21.964453.3743
ELAIDIC ACID (M+H)+Elaidic acidME203824637517-22.965282.2568
ELAIDIC ACID (M+NA)+Elaidic acidME203825637517-22.96282.2537
EPIANDROSTERONE (M+H)+[-H2O]EpiandrosteroneME203826441302-18.28290.2237
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME203827115196-20.031480.3466
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME203828115196-20.032480.3464
EPINEPHRINE (M+H)+EpinephrineME2038295816-0.618183.0862
EPINEPHRINE (M+H)+[-H2O]EpinephrineME2038305816-0.894183.0859
ERUCIC ACID (M+NA)+cis-Erucic acidME2038315281116-23.542338.3118
ESTRADIOL-17ALPHA (M+H)+[-H2O]Estradiol-17alphaME20383268570-16.788272.1744
ESTRONE (M+H)+EstroneME2038335870-16.492270.1609
ETHANOLAMINE PHOSPHATE (M+H)+PhosphoethanolamineME2038341015-0.664141.0216
ETHYLMALONIC ACID (M+NA)+Ethylmalonic acidME20383511756-2.691132.0419
FERULATE #2 (M+H)+trans-Ferulic acidME203836445858-8.079194.0588
FERULATE #2 (M+H)+[-H2O]trans-Ferulic acidME203837445858-8.081194.0588
FLAVIN ADENINE DINUCLEOTIDE (M+H)+FADME203838643975-6.297785.1543
FLUCYTOSINE (M+H)+FlucytosineME2038393366-0.689129.0322
GALACTURONIC ACID (M+NA)+[-H2O]Galacturonic acidME20384084740-0.725194.0427
GAMMA-BUTYROLACTONE (M+H)+gamma-ButyrolactoneME2038417302-2.12486.0369
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2038425280933-22.881278.2236
GLUCOSAMINIC ACID (M+NA)+Glucosaminic acidME20384373563-0.679195.0769
GLUCOSE (2M+NA)+GlucoseME2038445793-0.66180.0622
GLUCOSE (M+NA)+GlucoseME2038455793-0.681180.0634
GLUCURONIC ACID (M+NA)+Glucuronic acidME20384694715-0.672194.0407
GLUTAMIC ACID (M+H)+Glutamic acidME20384733032-0.642147.0513
GLUTAMIC ACID (M+H)+[-H2O]Glutamic acidME20384833032-0.638147.0519
GLUTAMINE (M+NA)+GlutamineME2038495961-0.616146.0676
GLUTARIC ACID (M+NA)+Glutaric acidME203850743-2.125132.0428
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME20385153481622-1.896275.1352
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20385265359-1.401612.1518
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME20385365359-1.399612.1465
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20385479050-22.154302.2439
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20385579050-22.158302.2456
GLYCINE (M+H)+GlycineME203856750-0.71275.0329
GLYCOCHOLIC ACID (2M+NA)+Glycocholic acidME20385710140-18.944465.3108
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O]Glycolithocholic acidME203858115245-21.638433.3157
GLYCOLITHOCHOLIC ACID (M+NA)+Glycolithocholic acidME203859115245-21.608433.3243
GLYCOLITHOCHOLIC ACID (M+NA)+[-H2O]Glycolithocholic acidME203860115245-21.572433.3177
GUANIDINOACETIC ACID (M+H)+Guanidoacetic acidME203861763-0.686117.0533
GUANINE (2M+NA)+GuanineME203862764-0.849151.0479
GUANINE (M+H)+GuanineME203863764-0.869151.0473
GUANINE (M+NA)+GuanineME203864764-0.881151.0485
GUANOSINE 5'-DIPHOSPHO-BETA-L-FUCOSE (M+NA)+-ME203866451-1.025589.0835
GUANOSINE (M+H)+GuanosineME2038656802-1.873283.092
HEXANOYLCARNITINE (*) M+CAR 6:0ME2038673246939-7.153260.1865
HOMOCYSTINE (M+H)+HomocystineME20386810010-0.708268.0527
HOMOGENTISIC ACID (M+H)+Homogentisic acidME203869780-2.144168.0402
HOMOGENTISIC ACID (M+H)+[-H2O]Homogentisic acidME203870780-2.167168.0398
HOMOSERINE (M+H)+HomoserineME20387112647-0.682119.0572
HOMOSERINE (M+NA)+HomoserineME20387212647-0.618119.0568
HOMOVANILLIC ACID (M+H)+Homovanillic acidME2038731738-5.869182.0574
HOMOVANILLIC ACID (M+NA)+Homovanillic acidME2038741738-5.886182.0565
HYPOXANTHINE (M+H)+HypoxanthineME203875790-1.105136.0386
HYPOXANTHINE (M+NA)+HypoxanthineME203876790-1.073136.0387
IBUPROFEN CARBOXYLIC ACID (M+H)+[-H2O]-ME20387710444113-13.009236.1039
IBUPROFEN CARBOXYLIC ACID (M+NA)+-ME20387810444113-13.037236.1036
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME203879800-1.804159.0685
INOSINE 5'-PHOSPHATE (M+H)+IMPME2038828582-0.987348.0481
INOSINE 5'-PHOSPHATE (M+NA)+IMPME2038838582-0.984348.0534
INOSINE (M+H)+InosineME2038806021-1.879268.0816
INOSINE (M+NA)+InosineME2038816021-1.857268.0813
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME203884168379-2.846231.147
ISOLEUCINE (M+H)+IsoleucineME2038856306-1.535131.0947
ISOLEUCINE (M+NA)+IsoleucineME2038866306-1.54131.0937
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME203887169235-4.589245.1629
ITACONIC ACID (M+H)+[-H2O]Itaconic acidME203888811-1.925130.027
KYNURENIC ACID (M+H)+Kynurenic acidME2038893845-5.016189.0421
KYNURENINE (M+H)+KynurenineME203890161166-2.239208.0847
KYNURENINE (M+NA)+KynurenineME203891161166-2.229208.0847
L-[15N]ANTHRANILIC ACID [ISTD] (M+H)+2-Aminobenzoic acidME203901227-5.378138.047
L-ALLOTHREONINE (M+H)+[-H2O]AllothreonineME20389299289-0.615119.0579
LANOSTEROL (M+NA)+LanosterolME203902246983-23.715426.378
L-ARGININE (M+H)+ArginineME2038936322-0.616174.1112
L-ARGININE (M+NA)+ArginineME2038946322-0.594174.1116
LAUROYLCARNITINE (M+H)+CAR 12:0ME203903168381-17.829343.2724
LEUKOTRIENE B4 (M+H)+LTB4ME2039045280492-20.661336.2279
LEUKOTRIENE B4 (M+H)+[-H2O]LTB4ME2039055280492-20.683336.2307
LEUKOTRIENE B4 (M+NA)+LTB4ME2039065280492-20.693336.2323
L-HISTIDINE (M+H)+HistidineME2038956274-0.559155.0702
L-HISTIDINE (M+NA)+HistidineME2038966274-0.62155.0696
L-HISTIDINOL (M+H)+L-HistidinolME203897165271-0.507141.0903
L-HISTIDINOL (M+NA)+L-HistidinolME203898165271-0.648141.0915
LITHOCHOLIC ACID (M+NA)+Lithocholic acidME2039079903-22.322376.2911
L-METHIONINE SULFOXIMINE (M+NA)+Methionine sulfoximineME20389989034-0.646180.0602
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20390016217285-3.686206.0848
LYSINE (M+H)+LysineME2039085962-0.524146.1057
LYSINE (M+NA)+LysineME2039095962-0.54146.1054
MALEIC ACID (M+H)+Maleic acidME203912444266-0.91116.0115
MALIC ACID (M+NA)+Malic acidME203913222656-0.79134.0212
MANNITOL (M+H)+[-H2O]MannitolME2039146251-0.7182.0794
MANNITOL (M+NA)+MannitolME2039156251-0.663182.0764
MELATONIN (M+NA)+MelatoninME203916896-8.705232.1224
METHIONINE (M+H)+MethionineME2039176137-0.991149.0509
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20391894214-0.807194.0787
METHYL JASMONATE (M+H)+Methyl jasmonateME2039195281929-16.043224.1417
METHYL JASMONATE (M+NA)+Methyl jasmonateME2039205281929-15.952224.1418
METHYLMALONIC ACID (M+NA)+Methylmalonic acidME203921487-1.358118.0264
MEVALONIC ACID (M+NA)+Mevalonic acidME203922439230-1.505148.0736
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]3-Hydroxymandelic acidME20391086957-2.088168.0398
M-HYDROXYMANDELIC ACID (M+NA)+[-H2O]3-Hydroxymandelic acidME20391186957-1.952168.0439
MIMOSINE (M+H)+MimosineME203923440473-0.648198.0616
MYRISTOYLCARNITINE (*) (M+H)+CAR 14:0ME2039243413344-19.556371.3027
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME20392665065-0.991175.0493
N-ACETYL-D-GLUCOSAMINE (M+H)+[-H2O]N-Acetyl-D-glucosamineME203927446101-0.681221.0904
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME203929448580-4.165191.0616
N-ACETYL-DL-METHIONINE (M+H)+[-H2O]N-AcetylmethionineME203930448580-4.169191.0611
N-ACETYL-DL-METHIONINE (M+NA)+N-AcetylmethionineME203931448580-4.171191.0619
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20393265249-0.906147.0529
N-ACETYL-DL-SERINE (M+NA)+N-AcetylserineME20393365249-0.849147.0515
N-ACETYL-D-TRYPTOPHAN (M+H)+N-Acetyl-D-tryptophanME203928439917-7.886246.1013
N-ACETYL-GLUTAMIC ACID (M+H)+N-Acetylglutamic acidME203934185-1.332189.0606
N-ACETYL-GLUTAMIC ACID (M+H)+[-H2O]N-Acetylglutamic acidME203935185-1.305189.064
N-ACETYL-GLUTAMIC ACID (M+NA)+N-Acetylglutamic acidME203936185-1.334189.0653
N-ACETYLGLYCINE (M+NA)+N-AcetylglycineME2039411097-0.923117.0418
N-ACETYL-L-ALANINE (M+NA)+N-AcetylalanineME20393788064-1.469131.0562
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20393875619-6.998173.1054
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME20393975619-7.003173.1056
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20394074839-7.605207.089
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME203942444885-0.738309.1042
N-ACETYLNEURAMINIC ACID (M+NA)+N-Acetylneuraminic acidME203943444885-0.677309.1113
N-ACETYLSEROTONIN (2M+NA)+N-AcetylserotoninME203944903-5.021218.1012
N-ACETYLSEROTONIN (M+H)+N-AcetylserotoninME203945903-5.047218.1046
N-ACETYLSEROTONIN (M+NA)+N-AcetylserotoninME203946903-5.043218.1063
NAD (M+H)+NAD+ME2039585893-1.03663.1023
NAD (M+NA)+NAD+ME2039595893-1.019663.0994
N-ALPHA-ACETYL-L-LYSINE (M+H)+N(2)-AcetyllysineME20394792907-0.652188.1154
N-AMIDINO-ASPARTIC ACID (M+H)+Guanidinosuccinic acidME203948439918-0.675175.0621
NAPROXEN (M+H)+NaproxenME203960156391-15.587230.0898
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20394913017-7.841127.0994
N-FORMYLGLYCINE (M+H)+N-FormylglycineME20395075606-0.775103.0285
NICOTINAMIDE (M+H)+NiacinamideME203961936-1.108122.0476
NICOTINAMIDE MONONUCLEOTIDE (M+H)+Nicotinamide ribotideME20396214180-0.679334.0592
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+Nicotinamide ribotideME20396314180-0.888334.053
NICOTINE (M+H)+NicotineME203964157672-1.185162.1131
NICOTINIC ACID (M+H)+Nicotinic acidME203965938-0.991123.0332
N-METHYL-ASPARTIC ACID (M+NA)+N-Methyl-D-aspartic acidME2039514376-0.609147.0509
N-METHYL-GLUTAMIC ACID (M+H)+[-H2O]N-Methyl-glutamic acidME203952439377-1.848161.0692
N-METHYL-GLUTAMIC ACID (M+NA)+[-H2O]N-Methyl-glutamic acidME203953439377-1.862161.0697
N-METHYLNICOTINIC ACID (2M+H)+TrigonellineME2039545570-0.638137.045
N-METHYLTRYPTAMINE (M+NA)+N-MethyltryptamineME2039556088-3.927174.1139
N-OLEOYLGLYCINE (M+H)+N-Oleoyl glycineME2039566436908-22.557339.2746
N-OLEOYLGLYCINE (M+NA)+N-Oleoyl glycineME2039576436908-22.576339.2779
NORADRENALINE (M+H)+Xi-NorepinephrineME203966951-0.681169.0751
NORADRENALINE (M+H)+[-H2O]Xi-NorepinephrineME203967951-0.591169.071
N(PAI)-METHYL-L-HISTIDINE (M+H)+3-MethylhistidineME20392564969-0.634169.0872
OCTACOSANOIC ACID (M+H)+Montanic acidME20397110470-23.265424.4261
OLEAMIDE (M+H)+OleamideME2039725283387-22.652281.271
OLEAMIDE (M+NA)+OleamideME2039735283387-22.652281.2707
OLEIC ACID (M+H)+Oleic acidME203974445639-22.562282.255
OLEIC ACID (M+NA)+Oleic acidME203975445639-22.568282.2538
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2039765319879-22.749356.2926
OLEOYL-GLYCEROL (M+H)+[-H2O]MG 18:1ME2039775319879-22.748356.2898
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2039785319879-22.744356.2936
OMEGA-HYDROXYDODECANOIC ACID (M+H)+[-H2O]12-Hydroxy lauric acidME20397979034-17.038216.1718
OMEGA-HYDROXYDODECANOIC ACID (M+NA)+12-Hydroxy lauric acidME20398079034-16.944216.1738
OMEPRAZOLE (M+H)+OmeprazoleME2039814594-11.073345.1092
O-PHOSPHO-DL-SERINE (2M+H)+DL-O-PhosphoserineME203968106-0.725185.0108
O-PHOSPHO-DL-SERINE (2M+NA)+DL-O-PhosphoserineME203969106-0.765185.0073
OPHTHALMIC ACID (M+H)+Ophthalmic acidME2039827018721-1.246289.1264
ORNITHINE (M+H)+OrnithineME2039836262-0.524132.0897
OROTIC ACID (M+H)+Orotic acidME203984967-0.857156.0187
O-SUCCINYL-L-HOMOSERINE (M+H)+o-SuccinylhomoserineME203970439406-0.838219.0781
PANTOTHENIC ACID (M+H)+Pantothenic acidME2039856613-3.374219.1109
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2039866613-3.383219.111
PHENETHYLAMINE (M+H)+PhenylethylamineME2039871001-2.896121.0873
PHENYLACETIC ACID (M+H)+Phenylacetic acidME203988999-3.941136.0525
PHENYLALANINE (M+H)+PhenylalanineME2039896140-2.465165.0779
PHENYLALANINE (M+NA)+PhenylalanineME2039906140-2.528165.0771
PIMELIC ACID (M+H)+[-H2O]Pimelic acidME203991385-5.695160.0741
PIMELIC ACID (M+NA)+Pimelic acidME203992385-5.676160.0766
PIPECOLIC ACID (M+H)+Pipecolic acidME203993849-0.955129.0777
PIPECOLIC ACID (M+NA)+Pipecolic acidME203994849-0.956129.0772
PREGNENOLONE (M+H)+[-H2O]PregnenoloneME2039958955-20.267316.237
PREGNENOLONE (M+NA)+PregnenoloneME2039968955-20.215316.2434
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME20399783228-0.634162.1028
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+NA)+-ME20399883228-0.619162.1014
PROGESTERONE (M+H)+ProgesteroneME2039995994-19.687314.2205
PROLINE (M+H)+ProlineME204000145742-0.723115.0623
PROLINE (M+NA)+ProlineME204001145742-0.628115.0612
PROMETRYN (M+H)+PrometrynME2040024929-15.226241.1362
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME204003107738-1.655217.1313
PROSTAGLANDIN E2 (M+H)+[-H2O]PGE2ME2040045280360-16.785352.2235
PROSTAGLANDIN E2 (M+NA)+PGE2ME2040055280360-16.858352.2243
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2040064971-22.947562.2629
PURINE (M+H)+PurineME2040071044-1.398120.0414
PYRIDOXAL #2 (M+H)+PyridoxalME2040081050-1.951167.0562
QUINIC ACID (M+NA)+Quinic acidME2040096508-0.693192.0599
RAFFINOSE (M+K)+RaffinoseME204010439242-0.693504.1615
RAFFINOSE (M+NA)+RaffinoseME204011439242-0.683504.1632
RETINOIC ACID (M+H)+Retinoic acidME204012444795-20.506300.2085
RETINOIC ACID (M+NA)+Retinoic acidME204013444795-20.546300.2093
RIBITOL (M+NA)+RibitolME20401494154-0.631152.0662
RIBOSE (M+NA)+RiboseME2040155779-0.69150.052
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME204016439155-1.501384.1216
SALSOLINOL (M+H)+SalsolinolME2040179158-1.258179.0918
SARCOSINE (M+H)+SarcosineME2040181088-0.72189.0475
SEBACIC ACID (M+H)+[-H2O]Sebacic acidME2040195192-12.761202.1193
SEBACIC ACID (M+NA)+Sebacic acidME2040205192-12.8202.1232
SELENOCYSTAMINE (M+H)+SelenocystamineME204021115119-0.518247.9334
SELENOMETHIONINE (M+H)+SelenomethionineME204022105024-1.287196.996
SERINE (M+H)+SerineME204023617-0.998105.0418
SEROTONIN (M+H)+SerotoninME2040245202-1.778176.0951
SEROTONIN (M+NA)+SerotoninME2040255202-1.684176.0934
SHIKIMIC ACID (M+H)+[-H2O]Shikimic acidME2040268742-0.934174.0511
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME204027439285-0.665257.1019
SPERMIDINE (M+H)+SpermidineME2040281102-0.525145.1577
SPERMIDINE (M+NA)+SpermidineME2040291102-0.53145.1556
SPERMINE (M+H)+SpermineME2040301103-0.527202.2158
SQUALENE (M+K)+SqualeneME2040315280370-24.841410.3981
STACHYOSE (M+NA)+StachyoseME204032439531-0.683666.2139
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20403352922056-21.657427.3585
SUBERIC ACID (M+NA)+Suberic acidME20403410457-8.075174.0906
SUCROSE (M+NA)+SucroseME2040355988-0.693342.112
SULFADIMETHOXINE (M+H)+SulfadimethoxineME2040365323-9.431310.0761
SULFADIMETHOXINE (M+NA)+SulfadimethoxineME2040375323-9.43310.076
TAURINE (M+NA)+TaurineME2040381123-0.658125.0138
TAUROCHENODEOXYCHOLIC ACID (M+H)+Taurochenodeoxycholic acidME204039387316-20.113499.3042
TAUROCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Taurochenodeoxycholic acidME204040387316-20.173499.301
TAUROCHENODEOXYCHOLIC ACID (M+NA)+Taurochenodeoxycholic acidME204041387316-20.146499.2977
TAUROCHOLIC ACID (M+H)+[-H2O]Taurocholic acidME2040426675-18.134515.2927
TAUROCHOLIC ACID (M+NA)+Taurocholic acidME2040436675-18.118515.2823
TAUROLITHOCHOLIC ACID (M+H)+Taurolithocholic acidME204044439763-21.789483.3113
TAUROLITHOCHOLIC ACID (M+H)+[-H2O]Taurolithocholic acidME204045439763-21.768483.3055
TAUROLITHOCHOLIC ACID (M+NA)+Taurolithocholic acidME204046439763-21.732483.3091
TESTOSTERONE (M+NA)+TestosteroneME2040476013-17.419288.2054
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME20404822833575-18.938370.2905
THEOBROMINE (M+H)+TheobromineME2040495429-3.547180.0651
THEOBROMINE (M+NA)+TheobromineME2040505429-3.474180.0629
THEOPHYLLINE (M+NA)+TheophyllineME2040512153-4.362180.0646
THIAMIN MONOPHOSPHATE (M+H)+Thiamine monophosphateME2040523382778-0.678344.0691
THREONINE (M+H)+[-H2O]ThreonineME2040536288-0.981119.0581
THROMBOXANE B2 (M+NA)+TXB2ME2040545283137-16.757370.2352
THYMIDINE (M+H)+ThymidineME2040555789-2.7242.089
THYMIDINE (M+NA)+ThymidineME2040565789-2.836242.0901
TRANS-4-HYDROXYPROLINE (M+H)+trans-4-HydroxyprolineME2040575810-0.686131.0575
TRANS-ACONITIC ACID (M+NA)+trans-Aconitic acidME204058444212-1.22174.0175
TRIMETHYLAMINE (M+H)+TrimethylamineME2040591146-0.72559.0731
TRYPTOPHANAMIDE (M+H)+TryptophanamideME204062439356-2.728203.1066
TRYPTOPHANAMIDE (M+NA)+TryptophanamideME204063439356-2.68203.1069
TRYPTOPHAN (M+H)+TryptophanME2040606305-3.685204.0882
TRYPTOPHAN (M+NA)+TryptophanME2040616305-3.682204.0876
TYROSINE (M+H)+TyrosineME2040646057-1.341181.0748
TYROSINE (M+NA)+TyrosineME2040656057-1.339181.074
URACIL 5-CARBOXYLIC ACID (M+H)+Uracil-5-carboxylic acidME2040676971263-1.074156.0171
URACIL (M+H)+UracilME2040661174-0.94112.0276
URIC ACID (M+H)+Uric acidME2040681175-1.017168.0283
URIDINE-5-MONOPHOSPHATE #2 (M+NA)+UMPME2040716030-0.855324.0315
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2040726030-0.896324.0358
URIDINE-5-MONOPHOSPHATE (M+NA)+UMPME2040736030-0.773324.0315
URIDINE (M+H)+UridineME2040696029-1.388244.0705
URIDINE (M+NA)+UridineME2040706029-1.387244.0697
UROCANIC ACID (M+H)+Urocanic acidME204074736715-0.939138.0429
VALINE (M+H)+ValineME2040756287-0.89117.0789
VALINE (M+NA)+ValineME2040766287-0.883117.0787
XANTHINE (M+H)+XanthineME2040771188-1.292152.0345
XANTHOSINE (M+H)+XanthosineME20407864959-2.367284.0771
XANTHOSINE (M+NA)+XanthosineME20407964959-2.368284.0775
XANTHURENIC ACID (M+H)+Xanthurenic acidME2040805699-4.555205.0382
ZEATIN [ISTD] (M+H)+trans-ZeatinME204081449093-3.956219.1126


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