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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_18:0ME20408518631368-25.426761.5979
16:0 LYSO PC (M+CL)-LPC 16:0ME204084460602-22.238495.3342
18:0 LYSO-PE (M-H)-LPE 18:0ME2040869547068-22.649481.3187
1-METHYLURIC ACID (M-H)-1-Methyluric acidME20408269726-2.179182.0441
1-METHYLXANTHINE (M-H)-1-MethylxanthineME20408380220-2.541166.0493
24:0 SM (D18:1/24:0) (M+CL)-SM 18:1;O2/24:0ME20409044260127-27.776814.6936
2-DEOXY-D-GLUCOSE (M+CL)-2-Deoxy-glucoseME204087439268-0.669164.0692
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME204088853180-3.491118.063
2-HYDROXYBUTYRIC ACID (M-H)-2-Hydroxybutyric acidME20408911266-1.75104.0475
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME204091440177-3.802182.0574
3-METHOXYTYROSINE (M-H)-3-MethoxytyrosineME2040929307-1.979211.0831
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME204093440877-4.296130.0631
3-METHYLXANTHINE (M-H)-3-MethylxanthineME20409470639-2.395166.0488
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20409570-4.699130.0631
4-NITROPHENOL (M-H)-4-NitrophenolME204096980-7.014139.027
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2040976723-1.85183.0527
5-AMINOPENTANOIC ACID (M-H)-5-Aminopentanoic acidME204099138-0.774117.0777
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME204100439280-1.757220.0827
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME204098439176-4.471297.0888
5-OXOPROLINE (M-H)-Pyroglutamic acidME2041017405-1.16129.0423
ADIPIC ACID (M-H)-Adipic acidME204102196-3.552146.0578
ALPHA-KETO-GLUTARIC ACID (M-H)-2-Oxoglutaric acidME20410351-0.89146.0215
ARACHIDIC ACID (M-H)-Arachidic acidME20410410467-23.584312.3028
ARACHIDONATE #2 (M-H)-Arachidonic acidME204105444899-22.83304.246
ARACHIDONIC ACID (M-H)-Arachidonic acidME204106444899-22.686304.2409
AZELAIC ACID (M-H)-Azelaic acidME2041072266-10.771188.1045
BEHENIC ACID (M-H)-Behenic acidME2041088215-24.105340.334
BETA-CAROTENE (M-H)-beta-CaroteneME2041095280489-23.227536.4331
BILIVERDIN (M-H)-BiliverdinME2041105280353-18.686582.2507
CHOLIC ACID (M+CL)-Cholic acidME204111221493-20.447408.2876
CHOLIC ACID (M-H)-Cholic acidME204112221493-20.441408.2869
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2041135282768-23.25310.2869
CITRIC ACID (M-H)-Citric acidME204114311-1192.0267
CITRULLINE (M-H)-CitrullineME2041159750-0.632175.095
CORTICOSTERONE (M+CL)-CorticosteroneME2041165753-15.46346.2148
CORTISOL (M+CL)-CortisolME2041175754-13.876362.2095
CORTISONE (M+CL)-CortisoneME204118222786-13.447360.1938
CREATINE (M-H)-CreatineME204119586-0.641131.069
DECANOIC ACID (M-H)-Capric acidME2041202969-19.87172.1457
DEHYDROASCORBIC ACID (M-H)-L-Dehydroascorbic acidME204121440667-0.827174.0163
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME20412212594-15.417368.1666
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20412313730-1.76251.1029
DEOXYCHOLIC ACID (2M-H)-Deoxycholic acidME204124222528-21.687392.292
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME204125222528-21.708392.2939
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME204126222528-21.714392.2928
DEOXYURIDINE (M+CL)-DeoxyuridineME20412713712-1.638228.0734
DEOXYURIDINE (M-H)-DeoxyuridineME20412813712-1.534228.0733
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME204129445580-22.669328.2411
DUMP (M-H)-dUMPME20413065063-0.961308.042
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME204131115196-19.887480.3458
ERUCIC ACID (M-H)-cis-Erucic acidME2041325281116-23.659338.3184
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME204133447277-23.263450.186
GLUCOSE (M+CL)-GlucoseME2041345793-0.612180.0622
GLUTAMINE (M-H)-GlutamineME2041355961-0.59146.0689
GLUTARIC ACID (M-H)-Glutaric acidME204136743-2.038132.0422
GLUTATHIONE (OXIDIZED) (M-H)-GlutathioneME20413765359-1.333612.15
GLYCOCHOLIC ACID (2M-H)-Glycocholic acidME20413810140-18.97465.3089
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20413910140-18.97465.3089
HEPTADECANOIC ACID (M-H)-Margaric acidME20414010465-22.991270.2557
HEXACOSANOIC ACID (M-H)-Cerotic acidME20414110469-25.756396.3968
HIPPURIC ACID (M-H)-Hippuric acidME204142464-4.787179.058
HOMOVANILLIC ACID (2M-H)-Homovanillic acidME2041431738-5.717182.0588
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2041445283820-22.861392.2952
HYPOXANTHINE (M-H)-HypoxanthineME204145790-1.067136.0372
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2041476831-0.698428.0172
INOSINE 5'-PHOSPHATE (M-H)-IMPME2041488582-0.944348.0416
INOSINE (M-H)-InosineME2041466021-1.788268.0816
ISOCITRIC ACID (M-H)-Isocitric acidME2041495318532-0.721192.0265
ISOLEUCINE (M-H)-IsoleucineME2041506306-1.494131.094
KYNURENIC ACID (M-H)-Kynurenic acidME2041513845-4.89189.041
KYNURENINE (M-H)-KynurenineME204152161166-2.162208.0835
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME204155227-5.286138.0445
LAURIC ACID (M-H)-Lauric acidME2041563893-21.76200.1774
L-HISTIDINE (M-H)-HistidineME2041536274-0.589155.0689
LIGNOCERIC ACID (M-H)-Lignoceric acidME20415711197-24.801368.3653
LINOLEIC ACID (M-H)-Linoleic acidME2041585280450-22.702280.2408
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20415416217285-3.574206.0842
LYSINE (M-H)-LysineME2041595962-0.564146.1046
MALEIC ACID (M-H)-Maleic acidME204160444266-0.949116.011
MALIC ACID (M-H)-Malic acidME204161222656-0.78134.021
MANDELIC ACID (M-H)-Mandelic acidME20416211914-5.635152.0469
METHIONINE (M-H)-MethionineME2041636137-0.919149.0496
MYRISTIC ACID (M-H)-Myristic acidME20416411005-22.439228.2091
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2041655281119-22.046226.1931
N-ACETYL-D-GLUCOSAMINE (M+CL)-N-Acetyl-D-glucosamineME204166446101-0.643221.0923
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME204168448580-4.047191.061
N-ACETYL-D-TRYPTOPHAN (M-H)-N-Acetyl-D-tryptophanME204167439917-7.95246.1005
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2041711097-0.898117.0422
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20416988064-1.476131.0578
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20417074839-7.705207.088
N-ACETYLNEURAMINIC ACID (M-H)-N-Acetylneuraminic acidME204172444885-0.651309.1042
NAD (M-H)-NAD+ME2041775893-0.968663.1047
N-AMIDINO-ASPARTIC ACID (M+CL)+[-H2O]Guanidinosuccinic acidME204173439918-0.717175.0606
NERVONIC ACID (M-H)-Nervonic acidME2041785281120-24.181366.3497
N-ETHYLMALEIMIDE (M-H)-N-EthylmaleimideME2041744362-3.395125.0473
N-NITROSODIETHANOLAMINE (M+CL)-N-NitrosodiethanolamineME20417514223-1.018134.0715
N-OLEOYLGLYCINE (M-H)-N-Oleoyl glycineME2041766436908-22.529339.274
OLEIC ACID (M-H)-Oleic acidME204180445639-22.908282.2565
ORNITHINE (M-H)-OrnithineME2041816262-0.563132.0895
O-SUCCINYL-L-HOMOSERINE (M-H)-o-SuccinylhomoserineME204179439406-0.861219.072
OXALIC ACID (M-H)-Oxalic acidME204182971-0.689.9965
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME204183970-0.544132.0034
PALMITIC ACID (M-H)-Palmitic acidME204184985-22.829256.2405
PALMITOLEIC ACID (M-H)-Palmitoleic acidME204185445638-22.564254.225
PANTOTHENIC ACID (M-H)-Pantothenic acidME2041866613-3.273219.1103
PHENYLALANINE (M-H)-PhenylalanineME2041876140-2.48165.0788
PHYTANIC ACID (M-H)-Phytanic acidME20418810380830-23.259312.3023
PIMELIC ACID (M-H)-Pimelic acidME204189385-5.704160.0731
PROSTAGLANDIN E2 (M+CL)-PGE2ME2041905280360-16.808352.222
RAFFINOSE (M+CL)-RaffinoseME204191439242-0.663504.1655
RIBOFLAVIN (M-H)-RiboflavinME204192493570-7.623376.1388
RIBOSE 5-PHOSPHATE (M-H)-Ribose 5-phosphateME204194439167-0.674230.0183
RIBOSE (M+CL)-RiboseME2041935779-0.652150.0553
SALICYLATE #2 (M-H)-Salicylic acidME204195338-8.188138.0314
SEBACIC ACID (M-H)-Sebacic acidME2041965192-13.002202.1203
SN-GLYCERO-3-PHOSPHOCHOLINE (M+CL)-sn-Glycero-3-phosphocholineME204197439285-0.722257.1066
STACHYOSE (M+CL)-StachyoseME204198439531-0.663666.2183
STEARIC ACID (M-H)-Stearic acidME2041995281-23.173284.2719
SUBERIC ACID (M-H)-Suberic acidME20420010457-8.274174.0874
SUCCINIC ACID (M-H)-Succinic acidME2042011110-1.291118.0266
SUCROSE (M+CL)-SucroseME2042025988-0.645342.1125
TAURINE (M-H)-TaurineME2042031123-0.584125.0147
TAUROLITHOCHOLIC ACID (M-H)-Taurolithocholic acidME204204439763-21.755483.2975
THEOPHYLLINE (M-H)-TheophyllineME2042052153-4.415180.0638
THYROXINE (M+CL)-ThyroxineME2042065819-16.267776.6852
THYROXINE (M-H)-ThyroxineME2042075819-16.263776.6864
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME204208444212-1.137174.0161
TRICOSANOIC ACID (M-H)-Tricosylic acidME20420917085-24.428354.3493
TRIDECANOIC ACID (M-H)-Tridecylic acidME20421012530-22.158214.1928
TRYPTOPHAN (M-H)-TryptophanME2042116305-3.574204.0878
TYROSINE (M-H)-TyrosineME2042126057-1.289181.0734
UDP-N-ACETYL-D-GLUCOSAMINE (M-H)-UDP-N-acetylglucosamineME204213445675-1.268607.0811
URIC ACID (M-H)-Uric acidME2042141175-0.974168.028
URIDINE (M+CL)-UridineME2042156029-1.306244.0694
URIDINE (M-H)-UridineME2042166029-1.331244.0689
VALINE (M-H)-ValineME2042176287-0.87117.0779
XANTHINE (M-H)-XanthineME2042181188-1.236152.033
ZEATIN [ISTD] (M+CL)-trans-ZeatinME204219449093-3.863219.1119
ZEATIN [ISTD] (M-H)-trans-ZeatinME204220449093-3.864219.1119


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
16:0-18:0 PC (M+H)+PC 16:0_18:0ME20422618631368-25.434761.5917
16:0 LYSO PC (M+H)+LPC 16:0ME204224460602-22.255495.3333
16:0 LYSO PC (M+NA)+LPC 16:0ME204225460602-22.246495.333
18:0 LYSO-PE (M+H)+LPE 18:0ME2042279547068-22.651481.3152
18:0 LYSO-PE (M+NA)+LPE 18:0ME2042289547068-22.649481.3261
1-METHYLADENOSINE (M+H)+1-MethyladenosineME20422127476-2.987281.1126
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20422280220-2.478166.0482
1-METHYLXANTHINE (M+NA)+1-MethylxanthineME20422380220-2.472166.0479
20:0 LYSO PC (M+H)+LPC 20:0ME20423324779473-22.952551.3959
24:0 SM (D18:1/24:0) (M+H)+SM 18:1;O2/24:0ME20423444260127-27.791814.6923
24:0 SM (D18:1/24:0) (M+NA)+SM 18:1;O2/24:0ME20423544260127-27.785814.6927
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]25-HydroxycholesterolME20423665094-22.76402.3421
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+PhosphoethanolamineME2042291015-0.609141.0195
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+PhosphoethanolamineME2042301015-0.612141.0193
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME204231439268-0.677164.0682
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+2-Hydroxy-4-(methylthio)butanoic acidME20423211427-3.459150.0323
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+3-Amino-4-hydroxybenzoic acidME20423765083-1.173153.0399
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]3-DehydroshikimateME204238439774-0.948172.0353
3-HYDROXYANTHRANILIC ACID (M+H)+3-Hydroxyanthranilic acidME20423986-2.885153.0429
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]3-HydroxybenzaldehydeME204240101-4.783122.0366
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2042419307-1.975211.0837
3-METHYLXANTHINE (M+H)+3-MethylxanthineME20424270639-2.478166.0522
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]VanylglycolME204243688030-2.54184.0743
4-PYRIDOXIC ACID (M+NA)+4-Pyridoxic acidME2042446723-1.835183.0497
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME20424510243-4.942173.0469
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME204247138-0.727117.0781
5-HYDROXYTRYPTOPHAN (M+H)+5-Hydroxy-tryptophanME204248439280-1.742220.084
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME204246439176-4.469297.0903
5-OXOPROLINE (M+H)+Pyroglutamic acidME2042497405-1.164129.0439
ACETYLCARNITINE (M+H)+CAR 2:0ME20425018230-0.904203.1153
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2042526083-0.913347.0626
ADENOSINE (M+H)+AdenosineME20425160961-1.747267.0967
ADIPIC ACID (M+NA)+Adipic acidME204253196-3.465146.0564
ALANINE (M+H)+AlanineME2042545950-1.21389.0475
ALLANTOIN (M+H)+AllantoinME204255439714-0.619158.0458
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+Galactose 1-phosphateME204256123912-0.494260.0292
ALPHA-TOCOPHEROL (M+H)+alpha-TocopherolME20425714985-24.512430.3806
ASPARAGINE (M+H)+AsparagineME2042586267-0.643132.0514
ASPARTIC ACID (M+NA)+Aspartic acidME2042595960-0.619133.0358
AZELAIC ACID (M+H)+Azelaic acidME2042602266-10.781188.1036
AZELAIC ACID (M+H)+[-H2O]Azelaic acidME2042612266-10.769188.1043
AZELAIC ACID (M+NA)+Azelaic acidME2042622266-10.769188.1059
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+AnserineME204263112072-0.666240.1248
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+AnserineME204264112072-0.668240.122
BILIVERDIN (M+H)+BiliverdinME2042655280353-18.691582.248
BILIVERDIN (M+NA)+BiliverdinME2042665280353-18.697582.2521
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2042678343-23.079390.2788
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2042688343-23.077390.2776
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME204269213144-2.895231.147
CAFFEINE (M+H)+CaffeineME2042702519-5.879194.0824
CALCIDIOL (M+H)+[-H2O]25-Hydroxyvitamin D3ME2042715283731-22.552400.3317
CALCIDIOL (M+NA)+25-Hydroxyvitamin D3ME2042725283731-22.585400.3271
CARNITINE (M+H)+CarnitineME20427310917-0.618161.1042
CARNOSINE (M+NA)+CarnosineME204274439224-0.656226.1059
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]Cholesterol sulfateME20427665076-23.852466.3108
CHOLESTEROL (M+H)+[-H2O]CholesterolME2042755997-24.557386.3558
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2042771014-0.624183.0648
CITRIC ACID (M+NA)+Citric acidME204278311-1.003192.0269
CORTICOSTERONE (M+H)+CorticosteroneME2042795753-15.456346.2136
CORTICOSTERONE (M+NA)+CorticosteroneME2042805753-15.461346.2159
CORTISOL (M+H)+CortisolME2042815754-13.879362.2104
CORTISOL (M+NA)+CortisolME2042825754-13.879362.2105
CORTISONE (M+H)+CortisoneME204283222786-13.448360.1946
CORTISONE (M+NA)+CortisoneME204284222786-13.446360.1958
CREATINE (M+H)+CreatineME204285586-0.691131.0669
CREATININE (M+H)+CreatinineME204286588-0.693113.0577
CYSTATHIONINE (M+H)+CystathionineME204287439258-0.626222.0635
CYSTEIC ACID (M+H)+Cysteic acidME20428872886-0.634187.0159
CYSTINE (M+NA)+CystineME2042896857538-0.599240.0216
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+CDP-cholineME20429013804-0.661488.1039
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+NA)+CDP-cholineME20429113804-0.681488.1146
CYTOSINE (M+NA)+CytosineME204292597-0.701111.0446
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20429357357170-13.865313.2259
DEOXYCHOLIC ACID (2M+NA)+Deoxycholic acidME204294222528-21.621392.2913
DEOXYCHOLIC ACID (M+H)+[-H2O]Deoxycholic acidME204295222528-21.622392.288
DEOXYCHOLIC ACID (M+NA)+Deoxycholic acidME204296222528-21.625392.2907
DESMOSTEROL (M+H)+[-H2O]DesmosterolME204297439577-24.223384.3391
DIETHYLSTILBESTROL (M+NA)+DiethylstilbestrolME204298448537-18.873268.1416
DIPALMITOYL-GLYCEROL (M+NA)+DG 16:0_16:0ME204299644078-26.283568.5068
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20430053481671-16.714342.2648
DUMP (M+H)+dUMPME20430165063-0.946308.0438
EICOSADIENOYLCARNITINE (*) (M+H)+CAR 20:2ME20430271464509-21.684451.3615
EICOSANOYLCARNITINE (*) (M+H)+CAR 20:0ME20430353477833-22.121455.3947
EICOSENOYLCARNITINE (*) (M+H)+CAR 20:1ME20430471464507-21.904453.3757
ELAIDIC ACID (M+H)+Elaidic acidME204305637517-22.908282.2591
EPIBRASSINOLIDE [ISTD] (M+H)+24-epi-BrassinolideME204306115196-19.893480.3463
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME204307115196-19.892480.3462
ESTRONE (M+H)+EstroneME2043085870-16.355270.1606
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2043095280933-22.83278.2221
GENTISURIC ACID (M+H)+-ME204310161488-4.29211.046
GLUCOSAMINIC ACID (M+NA)+Glucosaminic acidME20431173563-0.658195.0765
GLUCOSE (M+NA)+GlucoseME2043125793-0.682180.0621
GLUTATHIONE OXIDIZED (M+H)+GlutathioneME20431365359-1.323612.1453
GLUTATHIONE OXIDIZED (M+H2)+2GlutathioneME20431465359-1.341612.158
GLYCEROL MYRISTATE (M+H)+[-H2O]MG 14:0ME20431579050-22.062302.2417
GLYCOCHENODEOXYCHOLIC ACID (M+H)+Glycochenodeoxycholic acidME2043169548796-20.365449.3119
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2043179548796-20.363449.3149
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+Glycochenodeoxycholic acidME2043189548796-20.366449.3146
GLYCOCHOLIC ACID (M+H)+Glycocholic acidME20431910140-18.974465.3098
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME20432010140-18.857465.3098
GLYCOCHOLIC ACID (M+NA)+Glycocholic acidME20432110140-18.97465.309
GUANINE (M+H)+GuanineME204322764-0.826151.0471
GUANOSINE (M+H)+GuanosineME2043236802-1.793283.0916
HEXANOYLCARNITINE (*) M+CAR 6:0ME2043243246939-7.029260.187
HIPPURIC ACID (M+H)+Hippuric acidME204325464-4.783179.0589
HIPPURIC ACID (M+NA)+Hippuric acidME204326464-4.784179.0586
HISTAMINE (M+NA)+HistamineME204327774-0.662111.078
HOMOGENTISIC ACID (M+H)+Homogentisic acidME204328780-2.064168.0398
HOMOSERINE (M+NA)+HomoserineME20432912647-0.602119.0568
HYODEOXYCHOLIC ACID (M+NA)+Hyodeoxycholic acidME2043305283820-20.199392.29
HYPOXANTHINE (M+H)+HypoxanthineME204331790-1.061136.0388
HYPOXANTHINE (M+NA)+HypoxanthineME204332790-1.047136.0379
INDOLE-3-ACETALDEHYDE (M+H)+IndoleacetaldehydeME204333800-1.754159.0689
INDOLE-3-ACETIC ACID (M+H)+Indoleacetic acidME204334802-8.41175.0637
INDOLE-3-ACETIC ACID (M+NA)+Indoleacetic acidME204335802-8.407175.0634
INOSINE 5'-PHOSPHATE (M+H)+IMPME2043368582-0.951348.0469
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME204337168379-2.79231.147
ISOLEUCINE (M+H)+IsoleucineME2043386306-1.481131.0947
ISOLEUCINE (M+NA)+IsoleucineME2043396306-1.494131.0934
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME204340169235-4.561245.1631
KYNURENIC ACID (M+H)+Kynurenic acidME2043413845-4.894189.043
KYNURENINE (M+H)+KynurenineME204342161166-2.162208.0845
KYNURENINE (M+NA)+KynurenineME204343161166-2.155208.0816
L-ARGININE (M+H)+ArginineME2043446322-0.6174.1106
L-ARGININE (M+NA)+ArginineME2043456322-0.59174.111
LAUROYLCARNITINE (M+H)+CAR 12:0ME204349168381-17.683343.2728
L-HISTIDINE (M+H)+HistidineME2043466274-0.574155.0691
L-HISTIDINOL (M+H)+L-HistidinolME204347165271-0.452141.0899
LITHOCHOLIC ACID (M+NA)+Lithocholic acidME2043509903-22.31376.3003
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20434816217285-3.575206.0849
LYSINE (M+H)+LysineME2043515962-0.517146.1056
LYSINE (M+NA)+LysineME2043525962-0.548146.1044
METHIONINE (M+H)+MethionineME2043546137-0.959149.0509
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20435594214-0.661194.08
METHYL INDOLE-3-ACETATE (M+H)+Indole-3-methyl acetateME20435674706-11.681189.0789
METHYL JASMONATE (M+NA)+Methyl jasmonateME2043575281929-15.978224.1404
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]3-Hydroxymandelic acidME20435386957-2.129168.0406
N-ACETYL-DL-METHIONINE (M+H)+N-AcetylmethionineME204359448580-4.029191.0619
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20436065249-0.854147.0528
N-ACETYL-D-TRYPTOPHAN (M+H)+N-Acetyl-D-tryptophanME204358439917-7.97246.101
N-ACETYLGLYCINE (M+NA)+N-AcetylglycineME2043641097-0.905117.0414
N-ACETYL-L-ALANINE (M+NA)+N-AcetylalanineME20436188064-1.434131.0572
N-ACETYL-L-LEUCINE (M+H)+N-AcetylleucineME20436275619-7.162173.1051
N-ACETYL-L-PHENYLALANINE (M+NA)+N-AcetylphenylalanineME20436374839-7.708207.0888
N-ACETYLNEURAMINIC ACID (M+H)+N-Acetylneuraminic acidME204365444885-0.705309.102
N-ACETYLSEROTONIN (M+NA)+N-AcetylserotoninME204366903-4.941218.1057
NAD (M+H)+NAD+ME2043695893-0.966663.1021
N-CYCLOHEXYLFORMAMIDE (M+H)+N-CyclohexylformamideME20436713017-7.894127.0993
N-CYCLOHEXYLFORMAMIDE (M+NA)+N-CyclohexylformamideME20436813017-7.901127.099
NICOTINAMIDE (M+H)+NiacinamideME204370936-1.069122.047
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+Nicotinamide ribotideME20437114180-0.945334.0532
NONANOIC ACID (M+NA)+Pelargonic acidME2043728158-13.181158.1316
OCTANOYLCARNITINE (*) (M+H)+CAR 8:0ME204373123701-11.729287.2108
OCTENOYLCARNITINE (*) M+CAR 8:1ME20437471464472-9.503286.2028
OLEAMIDE (M+H)+OleamideME2043755283387-22.6281.2713
OLEAMIDE (M+NA)+OleamideME2043765283387-22.6281.2716
OLEIC ACID (M+H)+Oleic acidME204377445639-22.511282.2563
OLEIC ACID (M+NA)+Oleic acidME204378445639-22.531282.2546
OLEOYLCARNITINE (*) (M+H)+CAR 18:1ME2043806441392-21.508425.3512
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2043795319879-22.697356.293
ORNITHINE (M+H)+OrnithineME2043816262-0.517132.0901
PANTOTHENIC ACID (M+H)+Pantothenic acidME2043826613-3.271219.1116
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2043836613-3.272219.1117
PHENYLALANINE (M+H)+PhenylalanineME2043846140-2.54165.0779
PHENYLALANINE (M+NA)+PhenylalanineME2043856140-2.566165.0766
PIMELIC ACID (M+NA)+Pimelic acidME204386385-5.713160.0738
PIPECOLIC ACID (M+H)+Pipecolic acidME204387849-0.929129.0765
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+-ME20438883228-0.673162.1013
PROGESTERONE (M+NA)+ProgesteroneME2043895994-19.716314.2276
PROLINE (M+H)+ProlineME204390145742-0.692115.0617
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME204391107738-1.607217.1315
PROSTAGLANDIN E2 (M+H)+PGE2ME2043925280360-16.81352.2226
RIBOFLAVIN (M+H)+RiboflavinME204393493570-7.616376.14
SEBACIC ACID (M+NA)+Sebacic acidME2043945192-13.005202.1237
SELENOMETHIONINE (M+H)+SelenomethionineME204395105024-1.264196.9967
SEROTONIN (M+H)+SerotoninME2043965202-1.755176.0956
SEROTONIN (M+NA)+SerotoninME2043975202-1.656176.0941
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME204398439285-0.686257.1019
SPERMIDINE (M+H)+SpermidineME2043991102-0.494145.1579
SPERMINE (M+H)+SpermineME2044001103-0.494202.2162
SPHINGANINE (M+H)+SphinganineME204401644260-20.759301.2956
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20440252922056-21.828427.3658
SUBERIC ACID (M+H)+[-H2O]Suberic acidME20440310457-8.274174.0888
SUBERIC ACID (M+NA)+Suberic acidME20440410457-8.273174.0907
TAUROCHENODEOXYCHOLIC ACID (M+NA)+Taurochenodeoxycholic acidME204405387316-20.109499.2981
TAUROLITHOCHOLIC ACID (M+H)+[-H2O]Taurolithocholic acidME204406439763-21.764483.2929
TETRADECENOYLCARNITINE (*) M+CAR 14:1ME20440722833575-18.807370.2958
THEOBROMINE (M+H)+TheobromineME2044085429-3.458180.0651
THEOPHYLLINE (M+H)+TheophyllineME2044092153-4.395180.0657
THEOPHYLLINE (M+NA)+TheophyllineME2044102153-4.416180.0652
THREONINE (M+H)+[-H2O]ThreonineME2044116288-0.952119.0577
THYROXINE (M+H)+ThyroxineME2044125819-16.259776.6867
TRANS-4-HYDROXYPROLINE (M+H)+trans-4-HydroxyprolineME2044135810-0.661131.0577
TRYPTOPHAN (M+H)+TryptophanME2044146305-3.575204.0877
TRYPTOPHAN (M+NA)+TryptophanME2044156305-3.575204.0883
TYROSINE (M+H)+TyrosineME2044166057-1.291181.0739
TYROSINE (M+NA)+TyrosineME2044176057-1.292181.0737
URIC ACID (M+H)+Uric acidME2044181175-0.982168.0279
URIC ACID (M+NA)+Uric acidME2044191175-0.981168.0312
URIDINE (M+H)+UridineME2044206029-1.332244.0697
URIDINE (M+NA)+UridineME2044216029-1.328244.0692
UROCANIC ACID (M+H)+Urocanic acidME204422736715-0.91138.0419
URSODIOL (M+NA)+Ursodeoxycholic acidME20442331401-21.711392.2965
VALINE (M+H)+ValineME2044246287-0.866117.0787
VALINE (M+NA)+ValineME2044256287-0.859117.0772
XANTHURENIC ACID (M+H)+Xanthurenic acidME2044265699-4.529205.0381
ZEATIN [ISTD] (M+H)+trans-ZeatinME204427449093-3.862219.1126


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