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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
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME207701970-0.541132.0035
LYSINE (M-H)-LysineME2076795962-0.562146.1045
ORNITHINE (M-H)-OrnithineME2076986262-0.564132.0888
L-HISTIDINE (M-H)-HistidineME2076726274-0.582155.0689
TAURINE (M-H)-TaurineME2077251123-0.586125.0146
GLUTAMINE (M-H)-GlutamineME2076525961-0.596146.0686
L-ARGININE (M-H)-ArginineME2076716322-0.596174.1108
SERINE (M-H)-SerineME207719617-0.597105.0428
OXALIC ACID (M-H)-Oxalic acidME207700971-0.60389.9962
ASPARAGINE (M-H)-AsparagineME2076246267-0.619132.0543
GLUCOSE (M+CL)-GlucoseME2076515793-0.626180.064
CITRULLINE (M-H)-CitrullineME2076349750-0.627175.0981
GALACTARIC ACID (M-H)-Galactaric acidME2076483037582-0.637210.0395
ALLANTOIN (M-H)-AllantoinME207621439714-0.639158.0435
RIBOSE (M+CL)-RiboseME2077155779-0.644150.0531
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME207688446101-0.65221.0912
SUCROSE (M+CL)-SucroseME2077245988-0.651342.1177
GLUCONIC ACID (M-H)-Gluconic acidME20765010690-0.655196.057
RAFFINOSE (M+CL)-RaffinoseME207712439242-0.655504.1698
DEHYDROASCORBIC ACID (M+CL)-L-Dehydroascorbic acidME207637440667-0.658174.0178
PINITOL (M+CL)-PinitolME207708164619-0.658194.0817
STACHYOSE (M+CL)-StachyoseME207720439531-0.661666.218
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME207601439268-0.662164.0692
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME207693444885-0.663309.1051
PYRUVIC ACID (M-H)-Pyruvic acidME2077111060-0.69188.0164
ISOCITRIC ACID (M-H)-Isocitric acidME2076675318532-0.707192.0267
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2076666831-0.71428.0169
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME207614138-0.714117.0781
O-PHOSPHO-SERINE (2M-H)+DL-O-PhosphoserineME20769568841-0.718185.0107
GUANINE (M-H)-GuanineME207657764-0.766151.0489
MALIC ACID (M-H)-Malic acidME207681222656-0.78134.0212
GLYCERIC ACID (M-H)-Glyceric acidME207655439194-0.798106.0265
DEHYDROASCORBIC ACID (M-H)-L-Dehydroascorbic acidME207638440667-0.832174.016
OROTIC ACID (M-H)-Orotic acidME207699967-0.834156.0161
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME207696439406-0.836219.0733
METHYL BETA-D-GALACTOSIDE (M+CL)-Methyl beta-D-galactosideME20768494214-0.862194.0781
3-UREIDOPROPIONIC ACID (M-H)-Ureidopropionic acidME207609111-0.867132.0512
VALINE (M-H)-ValineME2077376287-0.871117.0783
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2076921097-0.892117.0416
ADENOSINE 5'-MONOPHOSPHATE (M-H)-AMPME2076196083-0.905347.06
DEOXYCYTIDINE (M+CL)-DeoxycytidineME20764013711-0.92227.0886
METHIONINE (M-H)-MethionineME2076836137-0.921149.0502
MALEIC ACID (M-H)-Maleic acidME207680444266-0.946116.0115
DUMP (M-H)-dUMPME20764465063-0.978308.0428
URIC ACID (M-H)-Uric acidME2077341175-0.986168.0279
CITRIC ACID (M-H)-Citric acidME207633311-1.008192.0269
HYPOXANTHINE (M-H)-HypoxanthineME207664790-1.037136.0369
AZELAIC ACID (M-H)-Azelaic acidME2076252266-10.769188.1044
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME207728444212-1.121174.0162
5-OXOPROLINE (M-H)-Pyroglutamic acidME2076177405-1.171129.0424
FUMARIC ACID (M-H)-Fumaric acidME207647444972-1.221116.0108
XANTHINE (M-H)-XanthineME2077381188-1.245152.0329
TYROSINE (M-H)-TyrosineME2077336057-1.286181.0734
SUCCINIC ACID (M-H)-Succinic acidME2077231110-1.298118.0264
SEBACIC ACID (M-H)-Sebacic acidME2077185192-13.008202.1201
URIDINE (M+CL)-UridineME2077356029-1.315244.0696
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20765465359-1.35612.152
URIDINE (M-H)-UridineME2077366029-1.351244.0695
TRICARBALLYLIC ACID (M-H)-[-H2O]1,2,3-Propanetricarboxylic acidME20772914925-1.366176.0294
CIS-ACONITIC ACID (M-H)-cis-Aconitic acidME207632643757-1.449174.0166
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20768988064-1.456131.0575
ISOLEUCINE (M-H)-IsoleucineME2076686306-1.465131.0943
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-S-AdenosylhomocysteineME207716439155-1.474384.1159
PTERIN (M-H)-PterinME20771073000-1.519163.0481
LEUCINE (M-H)-LeucineME2076766106-1.523131.0945
CORTICOSTERONE (M+CL)-CorticosteroneME2076355753-15.464346.2142
DEOXYURIDINE (M-H)-DeoxyuridineME20764213712-1.562228.0739
MEVALONIC ACID (M-H)-Mevalonic acidME207685439230-1.567148.0724
DEOXYURIDINE (M+CL)-DeoxyuridineME20764113712-1.592228.0751
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2076061662-1.603162.051
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME20760311266-1.748104.0475
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME207615439280-1.753220.0848
ADENOSINE (M+CL)-AdenosineME20761860961-1.754267.0949
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20763913730-1.774251.1006
INOSINE (M-H)-InosineME2076656021-1.802268.0806
GUANOSINE (M-H)-GuanosineME2076586802-1.806283.0914
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2076126723-1.848183.0517
BILIVERDIN (M-H)-BiliverdinME2076275280353-18.689582.2537
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20765610140-18.975465.3087
3-METHOXYTYROSINE (M-H)-3-MethoxytyrosineME2076079307-1.972211.0833
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME207645115196-19.891480.3457
DECANOIC ACID (M-H)-Capric acidME2076362969-19.894172.1457
GLUTARIC ACID (M-H)-Glutaric acidME207653743-2.041132.0423
CHOLIC ACID (M-H)-Cholic acidME207630221493-20.449408.2866
2'-DEOXYINOSINE (M-H)-DeoxyinosineME20760065058-2.058252.0833
KYNURENINE (M-H)-KynurenineME207670161166-2.16208.0825
LAURIC ACID (M-H)-Lauric acidME2076753893-21.764200.1773
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2076875281119-22.085226.1932
TRIDECANOIC ACID (M-H)-Tridecylic acidME20773112530-22.152214.1926
16:0 LYSO PC (M+CL)-LPC 16:0ME207597460602-22.254495.3329
MYRISTIC ACID (M-H)-Myristic acidME20768611005-22.442228.2088
PALMITOLEIC ACID (M-H)-Palmitoleic acidME207703445638-22.568254.2245
18:0 LYSO-PE (M-H)-LPE 18:0ME2075999547068-22.651481.3173
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME207643445580-22.673328.2407
ARACHIDONIC ACID (M-H)-Arachidonic acidME207623444899-22.693304.2408
LINOLEIC ACID (M-H)-Linoleic acidME2076785280450-22.709280.2405
XANTHOSINE (M-H)-XanthosineME20773964959-2.272284.0773
PALMITIC ACID (M-H)-Palmitic acidME207702985-22.833256.2406
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2076635283820-22.874392.2955
OLEIC ACID (M-H)-Oleic acidME207697445639-22.91282.2565
PROTOPORPHYRIN (M-H)-ProtoporphyrinME2077094971-22.926562.2571
HEPTADECANOIC ACID (M-H)-Margaric acidME20765910465-22.998270.2556
STEARIC ACID (M-H)-Stearic acidME2077215281-23.185284.272
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME207649447277-23.225450.1908
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2076315282768-23.253310.2869
PHYTANIC ACID (M-H)-Phytanic acidME20770710380830-23.26312.3012
ARACHIDIC ACID (M-H)-Arachidic acidME20762210467-23.594312.3021
ERUCIC ACID (M-H)-cis-Erucic acidME2076465281116-23.663338.3182
BEHENIC ACID (M-H)-Behenic acidME2076268215-24.112340.3339
NERVONIC ACID (M-H)-Nervonic acidME2076945281120-24.188366.3493
TRICOSANOIC ACID (M-H)-Tricosylic acidME20773017085-24.429354.3494
PHENYLALANINE (M-H)-PhenylalanineME2077066140-2.47165.0789
LIGNOCERIC ACID (M-H)-Lignoceric acidME20767711197-24.813368.3655
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20759818631368-25.454761.5939
HEXACOSANOIC ACID (M-H)-Cerotic acidME20766010469-25.771396.3968
THYMIDINE (M-H)-ThymidineME2077275789-2.739242.09
THYMIDINE (M+CL)-ThymidineME2077265789-2.743242.0901
24:0 SM (D18:1/24:0) (M+CL)-SM 18:1;O2/24:0ME20760444260127-27.806814.6969
PANTOTHENIC ACID (M-H)-Pantothenic acidME2077056613-3.274219.1108
PANTOTHENIC ACID (M+CL)-Pantothenic acidME2077046613-3.276219.1105
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME207602853180-3.496118.0629
ADIPIC ACID (M-H)-Adipic acidME207620196-3.555146.0596
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20767316217285-3.573206.0841
TRYPTOPHAN (M-H)-TryptophanME2077326305-3.573204.0873
5-METHYLTETRAHYDROFOLIC ACID (M-H)-5-Methyl-THFME2076169825434-3.666459.1853
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME207605440177-3.807182.0574
ZEATIN [ISTD] (M-H)-trans-ZeatinME207741449093-3.86219.1118
ZEATIN [ISTD] (M+CL)-trans-ZeatinME207740449093-3.863219.1118
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME207608440877-4.301130.0631
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME207613439176-4.471297.089
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20761070-4.704130.0631
HIPPURIC ACID (M-H)-Hippuric acidME207661464-4.792179.0579
KYNURENIC ACID (M-H)-Kynurenic acidME2076693845-4.874189.0411
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME207674227-5.292138.0445
MANDELIC ACID (M-H)-Mandelic acidME20768211914-5.634152.0469
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2076621738-5.728182.0586
BIOTIN (M-H)-BiotinME20762911966127-6.27244.0878
BIOTIN (M+CL)-BiotinME20762811966127-6.272244.0888
4-NITROPHENOL (M-H)-4-NitrophenolME207611980-6.988139.0268
N-ACETYL-L-LEUCINE (M-H)-N-AcetylleucineME20769075619-7.156173.1047
RIBOFLAVIN (M+CL)-RiboflavinME207713493570-7.62376.1379
RIBOFLAVIN (M-H)-RiboflavinME207714493570-7.622376.1369
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20769174839-7.698207.0884
SALICYLATE #2 (M-H)-Salicylic acidME207717338-8.188138.0315
SUBERIC ACID (M-H)-Suberic acidME20772210457-8.27174.0887


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
SPERMINE (M+H)+SpermineME2079151103-0.495202.2157
SPERMIDINE (M+H)+SpermidineME2079141102-0.504145.158
LYSINE (M+H)+LysineME2078685962-0.511146.1056
ORNITHINE (M+H)+OrnithineME2078976262-0.512132.0897
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME20790383228-0.512162.0994
LYSINE (M+NA)+LysineME2078695962-0.529146.1053
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+H)+CDP-cholineME20780913804-0.555488.1021
NORADRENALINE (M+H)+[-H2O]Xi-NorepinephrineME207889951-0.578169.0729
L-ARGININE (M+NA)+ArginineME2078616322-0.589174.1107
CHOLINE M+CholineME207795305-0.6104.1062
L-HISTIDINE (M+NA)+HistidineME2078636274-0.601155.0691
L-ARGININE (M+H)+ArginineME2078606322-0.602174.1117
GLUTAMINE (M+NA)+GlutamineME2078325961-0.604146.0675
L-HISTIDINE (M+H)+HistidineME2078626274-0.61155.0674
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2077961014-0.612183.0642
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+PhosphoethanolamineME2077521015-0.613141.0183
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+PhosphoethanolamineME2077511015-0.615141.0199
GLUTAMIC ACID (M+H)+Glutamic acidME20783133032-0.617147.0507
CARNITINE (M+H)+CarnitineME20779110917-0.624161.1026
CYTIDINE 5'-DIPHOSPHATE (M+H)+CDPME2078076132-0.628403.0208
CYSTATHIONINE (M+H)+CystathionineME207801439258-0.632222.0643
CYSTATHIONINE (M+H)+[-H2O]CystathionineME207802439258-0.632222.067
L-METHIONINE SULFOXIMINE (M+NA)+Methionine sulfoximineME20786489034-0.633180.0602
CITRULLINE (M+H)+CitrullineME2077989750-0.636175.0931
CYSTEIC ACID (M+H)+Cysteic acidME20780472886-0.641187.0168
THIAMIN M+ThiamineME2079231130-0.647265.1143
ASPARAGINE (M+H)+AsparagineME2077786267-0.652132.0547
GLUCOSE (2M+NA)+GlucoseME2078295793-0.652180.066
CYSTATHIONINE (M+NA)+CystathionineME207803439258-0.656222.0717
D-GALACTOSAMINE (M+K)+GalactosamineME2078103034366-0.662179.0787
RAFFINOSE (M+NA)+RaffinoseME207910439242-0.664504.1591
SUCROSE (M+NA)+SucroseME2079215988-0.668342.1111
STACHYOSE (M+NA)+StachyoseME207917439531-0.669666.2156
D-GLUCOSAMINE (M+H)+GlucosamineME207811439213-0.67179.0806
4-HYDROXY-L-PROLINE (M+H)+cis-4-HydroxyprolineME207763440015-0.673131.0595
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+[-H2O]-ME20790483228-0.675162.1023
N-ACETYL-D-GLUCOSAMINE (M+NA)+N-Acetyl-D-glucosamineME207874446101-0.685221.087
GLUCOSE (M+NA)+GlucoseME2078305793-0.688180.0624
FLUCYTOSINE (M+H)+FlucytosineME2078273366-0.703129.0347
N-ACETYLGALACTOSAMINE (M+H)+N-Acetyl-D-galactosamineME20788235717-0.704221.0872
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME207883444885-0.71309.1019
CYSTINE (M+NA)+CystineME2078056857538-0.727240.0197
BIURET (M+H)+BiuretME2077887913-0.736103.0396
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME207753439268-0.752164.066
HOMOCYSTINE (M+H)+HomocystineME20784410010-0.758268.0537
CYTIDINE 5'-DIPHOSPHATE (M+NA)+CDPME2078086132-0.781403.0229
CYTIDINE (M+H)+CytidineME2078066175-0.822243.0808
ETHANOLAMINE (M+NA)+EthanolamineME207825700-0.82761.0539
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20787765249-0.837147.0529
URIDINE-5-MONOPHOSPHATE (M+H)+UMPME2079336030-0.841324.0314
PIPECOLIC ACID (M+H)+Pipecolic acidME207901849-0.851129.0766
VALINE (M+NA)+ValineME2079356287-0.855117.0768
VALINE (M+H)+ValineME2079346287-0.863117.0779
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20787194214-0.877194.0769
ACETYLCARNITINE (M+H)+CAR 2:0ME20777218230-0.902203.113
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2077746083-0.913347.0595
DEOXYCYTIDINE (M+H)+DeoxycytidineME20781513711-0.919227.0889
DEOXYCYTIDINE (2M+H)+DeoxycytidineME20781313711-0.921227.0899
DEOXYCYTIDINE (2M+NA)+DeoxycytidineME20781413711-0.921227.0886
PYRIDOXAL (M+H)+PyridoxalME2079071050-0.925167.0563
DEOXYCYTIDINE (M+NA)+DeoxycytidineME20781613711-0.926227.0891
THREONINE (M+H)+[-H2O]ThreonineME2079246288-0.943119.057
N-ACETYL-ASPARTIC ACID (M+NA)+N-Acetylaspartic acidME20787365065-0.95175.0454
GUANINE (M+H)+GuanineME207841764-0.956151.0467
METHIONINE (M+H)+MethionineME2078706137-0.96149.0495
NAD (M+H)+NAD+ME2078865893-0.97663.105
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+UDP-N-acetylgalactosamineME20793023724461-0.989607.077
CITRIC ACID (M+NA)+Citric acidME207797311-1.005192.0263
HYPOXANTHINE (M+NA)+HypoxanthineME207847790-1.044136.0369
HYPOXANTHINE (M+H)+HypoxanthineME207846790-1.052136.0386
NICOTINAMIDE (M+H)+NiacinamideME207887936-1.071122.0468
AZELAIC ACID (M+NA)+Azelaic acidME2077802266-10.763188.1058
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME2077792266-10.765188.105
LUMICHROME (M+NA)+LumichromeME2078675326566-10.937242.0822
5-OXOPROLINE (M+H)+Pyroglutamic acidME2077707405-1.167129.0426
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME207890123701-11.726287.2112
SELENOMETHIONINE (M+H)+SelenomethionineME207913105024-1.18196.9986
AHBA (M+H)+3-Amino-5-hydroxybenzoic acidME207776127115-1.235153.0395
TYROSINE (M+H)+TyrosineME2079286057-1.287181.0727
TYROSINE (M+NA)+TyrosineME2079296057-1.287181.0726
URIDINE (M+NA)+UridineME2079326029-1.319244.067
NONANOIC ACID (M+NA)+Pelargonic acidME2078888158-13.191158.1315
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20783465359-1.322612.1482
URIDINE (M+H)+UridineME2079316029-1.33244.0697
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20781257357170-13.985313.2247
ISOLEUCINE (M+H)+IsoleucineME2078536306-1.477131.0942
ISOLEUCINE (M+NA)+IsoleucineME2078546306-1.481131.0939
CORTICOSTERONE (M+H)+CorticosteroneME2077995753-15.457346.2129
CORTICOSTERONE (M+NA)+CorticosteroneME2078005753-15.459346.2156
DEOXYURIDINE (M+NA)+DeoxyuridineME20781713712-1.575228.075
METHYL JASMONATE (M+NA)+Methyl jasmonateME2078725281929-15.978224.1413
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME207905107738-1.606217.1312
ESTRONE (M+H)+EstroneME2078245870-16.355270.1597
ADENOSINE (M+H)+AdenosineME20777360961-1.756267.0962
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME207768439280-1.761220.0822
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Aminoisobutanoic acidME20775864956-1.786103.0629
INOSINE (M+H)+InosineME2078506021-1.792268.0842
4-ACETAMIDOBUTANOIC ACID (M+NA)+4-Acetamidobutanoic acidME20776218189-1.81145.0734
INOSINE (M+NA)+InosineME2078516021-1.813268.0814
4-PYRIDOXIC ACID (M+NA)+4-Pyridoxic acidME2077646723-1.844183.0563
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME20783353481622-1.862275.1371
BILIVERDIN (M+H)+BiliverdinME2077815280353-18.69582.2482
BILIVERDIN (M+NA)+BiliverdinME2077825280353-18.69582.25
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME20783910140-18.971465.3108
GLYCOCHOLIC ACID (M+NA)+Glycocholic acidME20784010140-18.971465.3086
GLYCOCHOLIC ACID (M+H)+Glycocholic acidME20783810140-18.972465.3084
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2077609307-1.975211.0842
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME207823115196-19.889480.3461
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME207822115196-19.89480.3462
TAUROCHENODEOXYCHOLIC ACID (M+NA)+Taurochenodeoxycholic acidME207922387316-20.135499.2953
PREGNENOLONE (M+NA)+PregnenoloneME2079028955-20.138316.2387
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2078379548796-20.356449.3068
CHOLIC ACID (M+NA)+Cholic acidME207794221493-20.445408.2852
2'-DEOXYINOSINE (M+NA)+DeoxyinosineME20775065058-2.059252.0896
HOMOGENTISIC ACID (M+H)+Homogentisic acidME207845780-2.065168.0396
SPHINGANINE (M+H)+SphinganineME207916644260-20.827301.2952
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2078966441392-21.503425.3507
KYNURENINE (M+H)+KynurenineME207858161166-2.161208.085
KYNURENINE (M+NA)+KynurenineME207859161166-2.163208.0826
XANTHOSINE (M+H)+XanthosineME20793664959-2.165284.0765
5-VALEROLACTONE (M+H)+5-ValerolactoneME20777110953-2.174100.0524
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20791852922056-21.82427.3625
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20782171464507-21.902453.3778
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20783579050-22.063302.2423
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20783679050-22.148302.2456
16:0 LYSO PC (M+NA)+LPC 16:0ME207745460602-22.255495.3338
16:0 LYSO PC (M+H)+LPC 16:0ME207744460602-22.257495.3335
OLEIC ACID (M+H)+Oleic acidME207893445639-22.508282.2564
OLEIC ACID (M+NA)+Oleic acidME207894445639-22.518282.2554
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2077905283731-22.559400.3274
OLEAMIDE (M+NA)+OleamideME2078925283387-22.599281.2697
OLEAMIDE (M+H)+OleamideME2078915283387-22.601281.2715
18:0 LYSO-PE (M+H)+LPE 18:0ME2077489547068-22.651481.3203
18:0 LYSO-PE (M+NA)+LPE 18:0ME2077499547068-22.652481.3182
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2078955319879-22.691356.2927
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2078285280933-22.826278.2233
PROTOPORPHYRIN (M+H)+ProtoporphyrinME2079064971-22.925562.26
20:0 LYSO PC (M+H)+LPC 20:0ME20775524779473-22.947551.3902
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2077868343-23.078390.2766
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2077878343-23.078390.2783
LANOSTEROL (M+NA)+LanosterolME207866246983-23.768426.3787
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME20779365076-23.864466.3118
DESMOSTEROL (M+H)+[-H2O]DesmosterolME207818439577-24.16384.3397
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20777714985-24.512430.3792
CHOLESTEROL (M+H)+[-H2O]CholesterolME2077925997-24.603386.3557
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20774380220-2.466166.0468
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20774280220-2.47166.0475
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20776170639-2.471166.0521
PHENYLALANINE (M+H)+PhenylalanineME2079006140-2.509165.078
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20774618631368-25.45761.5937
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20774718631368-25.45761.5982
DIPALMITOYL-GLYCEROL (M+H)+[-H2O]DG 16:0_16:0ME207819644078-26.293568.5041
DIPALMITOYL-GLYCEROL (M+NA)+DG 16:0_16:0ME207820644078-26.296568.5076
THYMIDINE (M+NA)+ThymidineME2079255789-2.74242.089
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME207852168379-2.773231.1464
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME20775644260127-27.797814.6918
24:0 SM (D18:1/24:0) (M+NA)+SM 18:1;O2/24:0ME20775744260127-27.8814.6937
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME207789213144-2.894231.1472
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+2-Hydroxy-4-(methylthio)butanoic acidME20775411427-3.268150.0376
PANTOTHENIC ACID (M+H)+Pantothenic acidME2078986613-3.274219.1113
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2078996613-3.274219.1114
TRYPTOPHAN (M+NA)+TryptophanME2079276305-3.57204.0877
TRYPTOPHAN (M+H)+TryptophanME2079266305-3.572204.0876
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20786516217285-3.574206.0847
ADIPIC ACID (M+H)+Adipic acidME207775196-3.595146.0552
5-METHYLTETRAHYDROFOLIC ACID (M+H)+5-Methyl-THFME2077699825434-3.673459.1855
ZEATIN [ISTD] (M+H)+trans-ZeatinME207937449093-3.862219.1126
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME207876448580-4.059191.0607
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME207766439176-4.466297.0904
5'-METHYLTHIOADENOSINE (M+NA)+5'-MethylthioadenosineME207767439176-4.47297.0898
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME207855169235-4.558245.1629
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME207759101-4.77122.0371
HIPPURIC ACID (M+NA)+Hippuric acidME207843464-4.777179.0588
KYNURENIC ACID (M+H)+Kynurenic acidME2078563845-4.869189.0428
KYNURENIC ACID (M+NA)+Kynurenic acidME2078573845-4.897189.0423
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME20776510243-4.937173.0469
BIOTIN (M+H)+[-H2O]BiotinME20778411966127-6.223244.0891
BIOTIN (M+NA)+BiotinME20778511966127-6.268244.0906
BIOTIN (M+H)+BiotinME20778311966127-6.272244.0893
HEXANOYLCARNITINE (*) M+CAR 6:0ME2078423246939-7.027260.186
N-ACETYL-L-LEUCINE (M+NA)+N-AcetylleucineME20787975619-7.15173.1065
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20787875619-7.153173.1049
RIBOFLAVIN (M+NA)+RiboflavinME207912493570-7.62376.1384
RIBOFLAVIN (M+H)+RiboflavinME207911493570-7.622376.1403
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20788174839-7.696207.0896
N-ACETYL-L-PHENYLALANINE (M+H)+N-AcetylphenylalanineME20788074839-7.701207.0905
QUINOLIN-2-OL (M+H)+2-HydroxyquinolineME2079086038-7.731145.0531
QUINOLIN-2-OL (M+NA)+2-HydroxyquinolineME2079096038-7.733145.0527
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20788413017-7.892127.0976
N-CYCLOHEXYLFORMAMIDE (M+NA)+N-CyclohexylformamideME20788513017-7.893127.0981
FERULIC ACID (M+H)+trans-Ferulic acidME207826445858-7.907194.0564
N-ACETYL-D-TRYPTOPHAN (M+H)+N-Acetyl-D-tryptophanME207875439917-7.946246.1023
SUBERIC ACID (M+NA)+Suberic acidME20792010457-8.254174.0899
SUBERIC ACID (M+H)+[-H2O]Suberic acidME20791910457-8.275174.0886
INDOLE-3-ACETIC ACID (M+H)+Indoleacetic acidME207848802-8.389175.0642
INDOLE-3-ACETIC ACID (M+NA)+Indoleacetic acidME207849802-8.392175.0646


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