Return to study ST000721 main page

Analysis: Reversed phase POSITIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
5-AMINOPENTANOIC ACID (M+H)+5-Aminopentanoic acidME202503138-0.702117.0784
ADIPIC ACID (M+NA)+Adipic acidME202507196-3.568146.0581
CHOLINE M+CholineME202515305-0.62104.1077
CITRIC ACID (M+NA)+Citric acidME202517311-1.046192.0275
CREATINE (M+H)+CreatineME202518586-0.681131.0693
CREATININE (M+H)+CreatinineME202519588-0.687113.0585
SERINE (M+H)+SerineME202575617-0.982105.0405
GUANINE (M+H)+GuanineME202537764-0.912151.0461
HOMOGENTISIC ACID (M+H)+Homogentisic acidME202539780-2.139168.0398
HYPOXANTHINE (M+H)+HypoxanthineME202541790-1.1136.0389
PIPECOLIC ACID (M+H)+Pipecolic acidME202571849-0.937129.0781
NICOTINAMIDE (M+H)+NiacinamideME202558936-1.111122.0463
CHOLINE PHOSPHATE (M+H)+Choline phosphateME2025161014-0.637183.0657
SPERMIDINE (M+H)+SpermidineME2025791102-0.532145.1578
SPERMINE (M+H)+SpermineME2025801103-0.532202.2162
URIC ACID (M+H)+Uric acidME2025931175-1.013168.0287
URIC ACID (M+NA)+Uric acidME2025941175-1.011168.0287
HOMOVANILLIC ACID (M+H)+Homovanillic acidME2025401738-5.773182.056
ACETAMINOPHEN (TN TYLENOL) (M+H)+AcetaminophenME2025041983-3.157151.0639
ACETAMINOPHEN (TN TYLENOL) (M+NA)+AcetaminophenME2025051983-3.061151.0641
THEOPHYLLINE (M+H)+TheophyllineME2025852153-4.325180.0651
THEOPHYLLINE (M+NA)+TheophyllineME2025862153-4.427180.0654
CAFFEINE (M+NA)+CaffeineME2025122519-6.005194.0816
KYNURENIC ACID (M+H)+Kynurenic acidME2025463845-5.047189.0432
SEROTONIN (M+H)+SerotoninME2025765202-1.653176.0952
SEROTONIN (M+NA)+SerotoninME2025775202-1.652176.0955
THEOBROMINE (M+H)+TheobromineME2025845429-3.551180.0648
GLUCOSE (2M+NA)+GlucoseME2025315793-0.629180.0577
GLUCOSE (M+NA)+GlucoseME2025325793-0.658180.0617
LYSINE (M+H)+LysineME2025535962-0.522146.1057
SUCROSE (M+NA)+SucroseME2025825988-0.67342.1133
CHOLESTEROL (M+H)+[-H2O]CholesterolME2025145997-24.773386.3557
URIDINE (M+H)+UridineME2025956029-1.387244.0651
URIDINE (M+NA)+UridineME2025966029-1.391244.0707
EDTA (M+NA)+Edetic acidME2025266049-1.001292.0914
TYROSINE (M+H)+TyrosineME2025916057-1.339181.0742
TYROSINE (M+NA)+TyrosineME2025926057-1.339181.0739
ADENOSINE 5'-MONOPHOSPHATE (M+H)+AMPME2025066083-0.937347.0625
METHIONINE (M+H)+MethionineME2025546137-0.987149.0511
PHENYLALANINE (M+H)+PhenylalanineME2025706140-2.483165.0772
ORNITHINE (M+H)+OrnithineME2025646262-0.523132.09
ASPARAGINE (M+H)+AsparagineME2025086267-0.656132.0529
VALINE (M+H)+ValineME2025976287-0.889117.079
VALINE (M+NA)+ValineME2025986287-0.883117.0776
THREONINE (M+H)+[-H2O]ThreonineME2025876288-0.986119.0571
TRYPTOPHAN (M+H)+TryptophanME2025896305-3.692204.0904
TRYPTOPHAN (M+NA)+TryptophanME2025906305-3.691204.089
ISOLEUCINE (M+H)+IsoleucineME2025436306-1.605131.0948
ISOLEUCINE (M+NA)+IsoleucineME2025446306-1.546131.0938
L-ARGININE (M+H)+ArginineME2025496322-0.617174.1115
L-ARGININE (M+NA)+ArginineME2025506322-0.601174.1114
PANTOTHENIC ACID (M+H)+Pantothenic acidME2025686613-3.386219.111
PANTOTHENIC ACID (M+NA)+Pantothenic acidME2025696613-3.385219.1115
4-PYRIDOXIC ACID (M+NA)+4-Pyridoxic acidME2025006723-1.943183.0507
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+bis(2-Ethylhexyl)phthalic acidME2025098343-23.15390.2815
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+bis(2-Ethylhexyl)phthalic acidME2025108343-23.154390.2779
3-METHOXYTYROSINE (M+H)+3-MethoxytyrosineME2024979307-2.048211.0848
GLYCOCHOLIC ACID (M+H)+[-H2O]Glycocholic acidME20253610140-18.92465.31
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+4-Quinolinecarboxylic acidME20250110243-5.069173.0474
CARNITINE (M+H)+CarnitineME20251310917-0.641161.1044
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+CDP-cholineME20252213804-0.767488.1093
1-METHYLADENOSINE (M+H)+1-MethyladenosineME20248727476-3.085281.113
1-METHYLADENOSINE (M+NA)+1-MethyladenosineME20248827476-3.012281.1088
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]3-Aminoisobutanoic acidME20249664956-1.749103.0636
N-ACETYL-DL-SERINE (M+H)+[-H2O]N-AcetylserineME20255665249-0.924147.0528
CYSTEIC ACID (M+H)+Cysteic acidME20252172886-0.653187.0179
GLYCEROL MYRISTATE (M+NA)+MG 14:0ME20253479050-22.244302.2469
1-METHYLXANTHINE (M+H)+1-MethylxanthineME20248980220-2.566166.0483
4-ACETAMINOPHEN SULFATE (M+H)+Paracetamol sulfateME20249883939-2.456231.0205
4-ACETAMINOPHEN SULFATE (M+NA)+Paracetamol sulfateME20249983939-2.45231.0214
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M+H)+p-AcetamidophenylglucuronideME20256583944-2.288327.0962
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+p-AcetamidophenylglucuronideME20256683944-2.29327.0964
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+p-AcetamidophenylglucuronideME20256783944-2.289327.0963
N-ACETYL-L-ALANINE (M+NA)+N-AcetylalanineME20255788064-1.46131.0575
METHYL BETA-D-GALACTOSIDE (M+NA)+Methyl beta-D-galactosideME20255594214-0.668194.0769
PROPIONYLCARNITINE (*) (M+H)+CAR 3:0ME202573107738-1.649217.1317
TRANS-3'-HYDROXYCOTININE (M+H)+trans-3-HydroxycotinineME202588107963-1.026192.0899
EPIBRASSINOLIDE [ISTD] (M+NA)+24-epi-BrassinolideME202529115196-19.904480.3463
PROLINE (M+H)+ProlineME202572145742-0.686115.0613
KYNURENINE (M+H)+KynurenineME202547161166-2.234208.0844
KYNURENINE (M+NA)+KynurenineME202548161166-2.217208.0799
ISO-BUTYRYLCARNITINE (*) (M+H)+CAR 3:0;2MeME202542168379-2.848231.1473
LAUROYLCARNITINE (M+H)+CAR 12:0ME202552168381-17.855343.2734
ISOVALERYLCARNITINE (*) (M+H)+CAR 4:0;3MeME202545169235-4.54245.1633
BUTYRYLCARNITINE (*) (M+H)+CAR 4:0ME202511213144-2.952231.1474
TAUROCHENODEOXYCHOLIC ACID (M+NA)+Taurochenodeoxycholic acidME202583387316-20.155499.3059
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+S-AdenosylhomocysteineME202574439155-1.537384.1222
5'-METHYLTHIOADENOSINE (M+H)+5'-MethylthioadenosineME202502439176-4.574297.0901
CYSTATHIONINE (M+H)+CystathionineME202520439258-0.643222.0637
2-DEOXY-D-GLUCOSE (M+NA)+2-Deoxy-glucoseME202494439268-0.682164.0687
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+sn-Glycero-3-phosphocholineME202578439285-0.737257.102
EPIANDROSTERONE (M+H)+[-H2O]EpiandrosteroneME202528441302-18.29290.2205
OLEIC ACID (M+H)+Oleic acidME202560445639-22.587282.2539
OLEIC ACID (M+NA)+Oleic acidME202561445639-22.6282.2559
ZEATIN [ISTD] (M+H)+trans-ZeatinME202599449093-3.957219.1127
16:0 LYSO PC (M+H)+LPC 16:0ME202490460602-22.22495.334
16:0 LYSO PC (M+NA)+LPC 16:0ME202491460602-22.305495.3344
ELAIDIC ACID (M+H)+Elaidic acidME202527637517-22.984282.2562
HEXANOYLCARNITINE (*) M+CAR 6:0ME2025383246939-7.158260.1873
GAMMA-LINOLENIC ACID (M+NA)+gamma-Linolenic acidME2025305280933-22.903278.2214
OLEOYL-GLYCEROL (M+H)+MG 18:1ME2025625319879-22.766356.2915
OLEOYL-GLYCEROL (M+NA)+MG 18:1ME2025635319879-22.77356.2938
18:0 LYSO-PE (M+H)+LPE 18:0ME2024939547068-22.738481.3212
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]Glycochenodeoxycholic acidME2025359548796-20.439449.3169
DECANOYLCARNITINE (*) (M+H)+CAR 10:0ME20252311953821-15.143315.2405
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+TryptophanME20255116217285-3.692206.0853
16:0-18:0 PC (M+NA)+PC 16:0_18:0ME20249218631368-25.407761.5954
20:0 LYSO PC (M+H)+LPC 20:0ME20249524779473-23.004551.3964
STEAROYLCARNITINE (*) (M+H)+CAR 18:0ME20258152922056-21.617427.3562
GLUTARYLCARNITINE (*) (M+H)+CAR DC5:0ME20253353481622-1.942275.1379
DODECENOYLCARNITINE (*) II M+CAR 12:1ME20252553481671-16.805342.2649
DECENOYLCARNITINE (*) (M+H)+CAR 10:1ME20252457357170-13.832313.2257
OCTENOYLCARNITINE (*) M+CAR 8:1ME20255971464472-9.621286.2028


Analysis: Reversed phase NEGATIVE ION MODE (View original submitter results)

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
4-METHYL-2-OXOPENTANOIC ACID (M-H)-KetoleucineME20261170-4.721130.0632
ADIPIC ACID (M-H)-Adipic acidME202617196-3.566146.0579
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-2-Aminobenzoic acidME202665227-5.288138.0444
CITRIC ACID (M-H)-Citric acidME202629311-1.012192.0277
SALICYLATE #2 (M-H)-Salicylic acidME202693338-8.205138.0314
HIPPURIC ACID (M-H)-Hippuric acidME202652464-4.799179.0579
GLUTARIC ACID (M-H)-Glutaric acidME202646743-2.043132.0421
HYPOXANTHINE (M-H)-HypoxanthineME202654790-1.068136.038
OXALOACETIC ACID (M-H)-[-H2O]Oxaloacetic acidME202684970-0.543132.0034
OXALIC ACID (M-H)-Oxalic acidME202683971-0.60389.9962
PALMITIC ACID (M-H)-Palmitic acidME202687985-22.832256.2407
PYRUVIC ACID (M-H)-Pyruvic acidME2026921060-0.72488.0169
N-ACETYLGLYCINE (M-H)-N-AcetylglycineME2026791097-0.897117.0428
SUCCINIC ACID (M-H)-Succinic acidME2026981110-1.296118.0266
URIC ACID (M-H)-Uric acidME2027081175-0.987168.0289
XANTHINE (M-H)-XanthineME2027121188-1.244152.0332
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-3-Hydroxymethylglutaric acidME2026071662-1.531162.0504
ACETAMINOPHEN (TN TYLENOL) (M-H)-AcetaminophenME2026161983-3.057151.0632
THEOPHYLLINE (M-H)-TheophyllineME2027002153-4.418180.0643
AZELAIC ACID (M-H)-Azelaic acidME2026212266-10.793188.1044
KYNURENIC ACID (M-H)-Kynurenic acidME2026623845-4.909189.0411
LAURIC ACID (M-H)-Lauric acidME2026663893-21.77200.1773
N-ETHYLMALEIMIDE (M-H)-N-EthylmaleimideME2026804362-3.41125.0475
SEBACIC ACID (M-H)-Sebacic acidME2026955192-13.026202.1204
STEARIC ACID (M-H)-Stearic acidME2026965281-23.175284.2722
CORTISOL (M+CL)-CortisolME2026305754-13.898362.2097
GLUCOSE (M+CL)-GlucoseME2026445793-0.608180.0634
THYROXINE (M-H)-ThyroxineME2027015819-16.274776.6862
GLUTAMINE (M-H)-GlutamineME2026455961-0.591146.0693
LYSINE (M-H)-LysineME2026695962-0.563146.1042
URIDINE (M+CL)-UridineME2027096029-1.316244.0695
URIDINE (M-H)-UridineME2027106029-1.34244.0692
TYROSINE (M-H)-TyrosineME2027076057-1.301181.0733
PHENYLALANINE (M-H)-PhenylalanineME2026906140-2.497165.0788
L-HISTIDINE (M-H)-HistidineME2026636274-0.585155.0691
VALINE (M-H)-ValineME2027116287-0.867117.0772
TRYPTOPHAN (2M-H)-TryptophanME2027056305-3.605204.0869
TRYPTOPHAN (M-H)-TryptophanME2027066305-3.605204.0898
ISOLEUCINE (M-H)-IsoleucineME2026616306-1.534131.0939
PANTOTHENIC ACID (M-H)-Pantothenic acidME2026896613-3.283219.1103
4-PYRIDOXIC ACID (M-H)-4-Pyridoxic acidME2026126723-1.851183.0528
INOSINE 5'-DIPHOSPHATE (M-H)-IDPME2026596831-0.782428.0177
BEHENIC ACID (M-H)-Behenic acidME2026228215-24.113340.3343
GLYCOCHOLIC ACID (2M-H)-Glycocholic acidME20264710140-18.993465.3086
GLYCOCHOLIC ACID (M-H)-Glycocholic acidME20264810140-18.992465.3092
SALICYLURIC ACID (M-H)-Salicyluric acidME20269410253-6.226195.0529
SUBERIC ACID (M-H)-Suberic acidME20269710457-8.294174.0884
HEPTADECANOIC ACID (M-H)-Margaric acidME20265010465-22.994270.2557
ARACHIDIC ACID (M-H)-Arachidic acidME20261910467-23.592312.303
HEXACOSANOIC ACID (M-H)-Cerotic acidME20265110469-25.771396.3965
MYRISTIC ACID (M-H)-Myristic acidME20267311005-22.443228.2089
LIGNOCERIC ACID (M-H)-Lignoceric acidME20266711197-24.814368.3658
MANDELIC ACID (M-H)-Mandelic acidME20267111914-5.647152.0468
TRIDECANOIC ACID (M-H)-Tridecylic acidME20270412530-22.165214.1928
DEHYDROEPIANDROSTERONE SULFATE (M-H)-Dehydroepiandrosterone sulfateME20263312594-15.281368.1666
DEOXYURIDINE (M+CL)-DeoxyuridineME20263813712-1.587228.0734
DEOXYADENOSINE (M+CL)-DeoxyadenosineME20263413730-1.77251.103
TRICOSANOIC ACID (M-H)-Tricosylic acidME20270317085-24.437354.3499
DUMP (M-H)-dUMPME20264065063-0.972308.0457
3-METHYLXANTHINE (M-H)-3-MethylxanthineME20260970639-2.402166.0487
N-ACETYL-L-PHENYLALANINE (M-H)-N-AcetylphenylalanineME20267874839-7.727207.0886
1-METHYLXANTHINE (M-H)-1-MethylxanthineME20260080220-2.542166.0487
4-ACETAMINOPHEN SULFATE (M-H)-Paracetamol sulfateME20261083939-2.411231.0198
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (2M-H)-p-AcetamidophenylglucuronideME20268583944-2.226327.0952
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M-H)-p-AcetamidophenylglucuronideME20268683944-2.227327.0954
N-ACETYL-L-ALANINE (M-H)-N-AcetylalanineME20267788064-1.48131.0579
IBUPROFEN (M-H)-IbuprofenME202655114864-18.932206.1304
EPIBRASSINOLIDE [ISTD] (M+CL)-24-epi-BrassinolideME202641115196-19.909480.3457
GLYCOLITHOCHOLIC ACID (M-H)-Glycolithocholic acidME202649115245-21.595433.3178
5-HYDROXY OMEPRAZOLE (M-H)-5-HydroxyomeprazoleME202614119560-12.373361.1097
NAPROXEN (M-H)-NaproxenME202681156391-15.805230.094
CHOLIC ACID (M+CL)-Cholic acidME202624221493-20.471408.2884
CHOLIC ACID (M-H)-Cholic acidME202625221493-20.47408.2881
DEOXYCHOLIC ACID (2M-H)-Deoxycholic acidME202635222528-21.723392.2917
DEOXYCHOLIC ACID (M+CL)-Deoxycholic acidME202636222528-21.73392.293
DEOXYCHOLIC ACID (M-H)-Deoxycholic acidME202637222528-21.732392.2931
MALIC ACID (M-H)-Malic acidME202670222656-0.775134.0221
CORTISONE (M+CL)-CortisoneME202631222786-13.467360.1936
5'-METHYLTHIOADENOSINE (M+CL)-5'-MethylthioadenosineME202613439176-4.459297.0874
MEVALONIC ACID (M-H)-Mevalonic acidME202672439230-1.546148.0726
5-HYDROXYTRYPTOPHAN (M-H)-5-Hydroxy-tryptophanME202615439280-1.764220.0815
TAUROLITHOCHOLIC ACID (M-H)-Taurolithocholic acidME202699439763-21.759483.3001
N-ACETYL-D-TRYPTOPHAN (M-H)-N-Acetyl-D-tryptophanME202675439917-7.964246.0999
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-Hydroxyphenyllactic acidME202606440177-3.818182.0576
DEHYDROASCORBIC ACID (M-H)-Dehydroascorbic acidME202632440667-0.811174.0166
ALPHA-HYDROXYISOBUTYRIC ACID (M-H)-2-Hydroxyisobutyric acidME202618440873-1.756104.0476
3-METHYL-2-OXOPENTANOIC ACID (M-H)-3-Methyl-2-oxovaleric acidME202608440877-4.319130.0633
CITRAMALIC ACID (M-H)-Citramalic acidME202628441696-1.383148.035
TRANS-ACONITIC ACID (M-H)-trans-Aconitic acidME202702444212-1.155174.0163
ARACHIDONIC ACID (M-H)-Arachidonic acidME202620444899-22.692304.2408
DOCOSAHEXAENOIC ACID (M-H)-Docosahexaenoic acidME202639445580-22.675328.241
PALMITOLEIC ACID (M-H)-Palmitoleic acidME202688445638-22.568254.225
GERANYLGERANYL DIPHOSPHATE (M-H)-Geranylgeranyl diphosphateME202643447277-23.217450.1884
N-ACETYL-DL-METHIONINE (M-H)-N-AcetylmethionineME202676448580-4.068191.0606
ZEATIN [ISTD] (M+CL)-trans-ZeatinME202713449093-3.849219.1118
ZEATIN [ISTD] (M-H)-trans-ZeatinME202714449093-3.851219.1118
16:0 LYSO PC (M+CL)-LPC 16:0ME202601460602-22.238495.3341
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-2-Hydroxy-3-methylbutyric acidME202604853180-3.5118.0632
BILIVERDIN (M-H)-BiliverdinME2026235280353-18.655582.2498
LINOLEIC ACID (M-H)-Linoleic acidME2026685280450-22.706280.2408
ERUCIC ACID (M-H)-cis-Erucic acidME2026425281116-23.663338.3185
MYRISTOLEIC ACID (M-H)-Myristoleic acidME2026745281119-22.055226.1931
NERVONIC ACID (M-H)-Nervonic acidME2026825281120-24.188366.3498
CIS-VACCENIC ACID (M-H)-cis-Vaccenic acidME2026275282761-22.911282.2565
CIS-11-EICOSENOIC ACID (M-H)-cis-Gondoic acidME2026265282768-23.254310.2873
HYODEOXYCHOLIC ACID (M-H)-Hyodeoxycholic acidME2026535283820-22.84392.2954
ISOCITRIC ACID (M-H)-Isocitric acidME2026605318532-0.734192.0274
18:0 LYSO-PE (M-H)-LPE 18:0ME2026039547068-22.652481.318
PHYTANIC ACID (M-H)-Phytanic acidME20269110380830-23.262312.3017
IBUPROFEN CARBOXYLIC ACID (2M-H)--ME20265610444113-13.081236.1044
IBUPROFEN CARBOXYLIC ACID (M+CL)--ME20265710444113-13.079236.1047
IBUPROFEN CARBOXYLIC ACID (M-H)--ME20265810444113-13.102236.1049
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-TryptophanME20266416217285-3.605206.0843
16:0-18:0 PC (M+CL)-PC 16:0_18:0ME20260218631368-25.429761.6026
24:0 SM (D18:1/24:0) (M+CL)-SM 18:1;O2/24:0ME20260544260127-27.777814.6921


  logo