Exact Mass: 397.0396

Exact Mass Matches: 397.0396

Found 94 metabolites which its exact mass value is equals to given mass value 397.0396, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

BENSULIDE

O,O-bis(propan-2-yl) [(2-benzenesulfonamidoethyl)sulfanyl]phosphonothioate

C14H24NO4PS3 (397.0605)

CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4592 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9469; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9501; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4616; ORIGINAL_PRECURSOR_SCAN_NO 4612 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9463; ORIGINAL_PRECURSOR_SCAN_NO 9460 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4614; ORIGINAL_PRECURSOR_SCAN_NO 4610 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9468; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9473; ORIGINAL_PRECURSOR_SCAN_NO 9472 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4600 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4597 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4592; ORIGINAL_PRECURSOR_SCAN_NO 4587

4-Keto-ATC

4-Keto-anhydrotetracycline; 4-Ketoanhydrotetracycline; 4-Keto-ATC; 4-Dedimethylamino-4-oxo-anhydrotetracycline; 4-De(dimethylamino)-4-oxoanhydrotetracycline; (4aR,12aS)-3,10,11,12a-Tetrahydroxy-6-methyl-1,4,12-trioxo-4a,5-dihydrotetracene-2-carboxamide

C20H15NO8 (397.0798)

5-Taurinomethyl-2-thiouridine

2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid

C12H19N3O8S2 (397.0614)

5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579) [HMDB] 5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579).

Hydroxycelecoxib

4-{5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)

Hydroxycelecoxib is a metabolite of celecoxib and is only found in individuals that have used or taken this drug (PMID: 10681375). Hydroxycelecoxib belongs to the family of phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton which consists of a pyrazole bound to a phenyl group. Celecoxib (trade name: Celebrex) is a sulfa non-steroidal anti-inflammatory drug (NSAID) and selective COX-2 inhibitor used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation, and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer. Celecoxib is available by prescription in capsule form (Wikipedia).

Tyrphostin AG 825

3-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-hydroxy-5-methoxyphenyl}-2-cyanoprop-2-enamide

C19H15N3O3S2 (397.0555)

cefetamet

7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H15N5O5S2 (397.0515)

Deracoxib

4-[3-(difluoromethyl)-5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)

D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors

DMS-Cl

4-(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-methoxybenzene-1-sulfonyl chloride

C17H16ClNO6S (397.0387)

2-Hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)

Sinigrin

potassium (E)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylthio)but-3-enylideneamino sulfate

C10H16NO9S2K (396.9904)

Sinigrin is a major glucosinolate present in plants of the Brassicaceae family. Sinigrin inhibits early-stage adipogenesis of 3T3-L1 adipocytes through the AMPK and MAPK signaling pathways. Sinigrin has potent anti-oxidant, anti-tumor and anti-inflammatory effects[1]. Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1]. Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1].

AG-825

3-[3-[(2-benzothiazolylthio)methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide

C19H15N3O3S2 (397.0555)

D000970 - Antineoplastic Agents > D020032 - Tyrphostins

Sinigrin

potassium (E)-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylthio)but-3-enylideneamino sulfate

C10H16KNO9S2 (396.9904)

2-propenyl glucosinolate, also known as sinigrin, monopotassium salt or myronate, is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 2-propenyl glucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 2-propenyl glucosinolate can be found in brussel sprouts, which makes 2-propenyl glucosinolate a potential biomarker for the consumption of this food product. Sinigrin is a major glucosinolate present in plants of the Brassicaceae family. Sinigrin inhibits early-stage adipogenesis of 3T3-L1 adipocytes through the AMPK and MAPK signaling pathways. Sinigrin has potent anti-oxidant, anti-tumor and anti-inflammatory effects[1]. Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1]. Sinigrin is a major glucosinolate present in plants of the Brassicaceae family, with anti-adipogenic effects[1].

Dysidin

C16H22Cl3NO4 (397.0614)

None

C17H20INO2 (397.0539)

3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-2,6-dimethyl-, 2-hydroxyethyl methyl ester

C18H17Cl2NO5 (397.0484)

5-Taurinomethyl-2-thiouridine

2-[[(1,2,3,4-tetrahydro-4-oxo-1-beta-delta-Ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-ethanesulfonic acid

C12H19N3O8S2 (397.0614)

Oxaliplatin

C8H14N2O4Pt (397.0601)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent > C1450 - Platinum Compound

Hydroxycelecoxib

4-{5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}benzene-1-sulfonamide

C17H14F3N3O3S (397.0708)

4-Dedimethylamino-4-oxo-anhydrotetracycline

C20H15NO8 (397.0798)

Faropenem daloxate

Faropenem medoxomil

C17H19NO8S (397.0831)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

Dichloro(dicyclopentadienyl)platinum(II)

C10H12Cl2Pt (396.9964)

9-(4-BroMo-4-biphenylyl)-9H-carbazole

C24H16BrN (397.0466)

5-ethoxy-4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide

5-ethoxy-4-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide

C15H19N5O4S2 (397.0878)

9-([1,1-Biphenyl]-4-yl)-3-bromo-9H-carbazole

C24H16BrN (397.0466)

9-([1,1-biphenyl]-4-yl)-2-broMo-9H-carbazole

C24H16BrN (397.0466)

9-([1,1-biphenyl]-3-yl)-3-bromo-9H-carbazole

C24H16BrN (397.0466)

Benzovindiflupyr

C18H15Cl2F2N3O (397.056)

D016573 - Agrochemicals D010575 - Pesticides

3-Bromo-6,9-diphenyl-9H-carbazole

C24H16BrN (397.0466)

1-TERT-BUTYL 4-ETHYL 4-(IODOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE

C14H24INO4 (397.075)

Ethyl 2-(3-bromo-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate

C17H20BrNO3S (397.0347)

3-(2-Chlorophenyl)-6-fluoro-2-[[(2-fluorophenyl)amino]methyl]-4(3H)-quinazolinone

C21H14ClF2N3O (397.0793)

3-(4-bromophenyl)-9-phenyl-9H-carbazole

C24H16BrN (397.0466)

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate hydrochloride

C17H14Cl2FN3O3 (397.0396)

BIO-acetoxime

C18H12BrN3O3 (397.0062)

Cefetamet

C14H15N5O5S2 (397.0515)

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DD - Third-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

2H-1,2,4-Benzothiadiazine-7-sulfonamide,6-chloro-3,4-dihydro-2-methyl-3-[(2-propen-1-ylthio)methyl]-, 1,1-dioxide

C12H16ClN3O4S3 (396.9991)

8-BROMOGUANOSINE DIHYDRATE

C10H16BrN5O7 (397.0233)

Manganese(2+) di(2-naphthoate)

C22H14MnO4 (397.0273)

2-(3-BroMophenyl)-9H-BroMophenylcarbazole

C24H16BrN (397.0466)

Methscopolamine bromide

Methscopolamine (bromide)

C18H24BrNO4 (397.0889)

C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics

Brequinar sodium

C23H14F2NNaO2 (397.089)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Nemadipine-B

C19H21Cl2NO4 (397.0848)

3-[2-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]anilino]propiononitrile

C15H10Cl3N5O2 (396.99)

3-(2-Bromophenyl)-9-phenyl-9H-carbazole

C24H16BrN (397.0466)

2-Bromo-6,9-diphenylcarbazole

C24H16BrN (397.0466)

9-(2-Bromo-4-biphenylyl)carbazole

C24H16BrN (397.0466)

2-Bromo-9-([1,1-biphenyl]-3-yl)carbazole

C24H16BrN (397.0466)

Dimidium bromide monohydrate

C20H20BrN3O (397.079)

N-[2-(Benzyloxy)-5-(bromoacetyl)phenyl]methanesulfonamide

C16H16BrNO4S (396.9983)

mercury(1+),2,3,4,5,6-pentahydroxyhexanoate

C6H11HgO7 (397.0211)

(5S)-4-ethyl-5-methyl-5-(7-oxa-4-azabicyclo[4.1.0]hepta-1(6),2,4- trien-5-ylsulfanyl)-3,4-dihydrooxazol-1-ium-2-amine hexafluoropho sphate

C11H14F6N3O2PS (397.0449)

Mefentrifluconazole

C18H15ClF3N3O2 (397.0805)

SKF 83959 hydrobromide

C18H21BrClNO2 (397.0444)

SKF83959 hydrobromide is a potent and selective dopamine D1-like receptor partial agonist. SKF83959 hydrobromide Ki values for rat D1, D5, D2 and D3 receptors are 1.18, 7.56, 920 and 399 nM, respectively. SKF83959 hydrobromide is a potent allosteric modulator of sigma (σ)-1 receptor. SKF83959 hydrobromide belongs to benzazepine family and has improvements on cognitive dysfunction. SKF83959 hydrobromide can be used for the research of Alzheimer's disease and depression[1][2][3][4].

Azidocillin sodium salt

C16H16N5NaO4S (397.0821)

Methylscopolamine bromide

C18H24BrNO4 (397.0889)

Trifluoro-thiamin phosphate

C12H13F3N4O4PS- (397.0347)

Cefotaxime, C3 Cleaved, Open, Bound Form

C14H15N5O5S2 (397.0515)

2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid

C12H19N3O8S2 (397.0614)

S-(2-chlorocarboxymethyl)-glutathione

C12H16ClN3O8S-2 (397.0347)

Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II)

C8H14N2O4Pt (397.0601)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XA - Platinum compounds D000970 - Antineoplastic Agents

Tyrphostin C15

C19H15N3O3S2 (397.0555)

7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C14H15N5O5S2 (397.0515)

N-(2-Chlorobenzoyl)-5-(trifluoromethoxy)-1H-indole-2-carbohydrazide

C17H11ClF3N3O3 (397.0441)

4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide

C15H16ClN5O4S (397.0611)

(5E)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

C23H15N3O2S (397.0885)

(1S,4R)-benzovindiflupyr

C18H15Cl2F2N3O (397.056)

4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C21H20BrNO2 (397.0677)

2-(4-Methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester

C16H15NO7S2 (397.029)

1-[4-[[4-(2-Chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone

C21H16ClNO5 (397.0717)

4-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide

C16H10ClF6NO2 (397.0304)

2-hydroxy-N-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide

C18H15N5O4S (397.0845)

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-thiazolyl)thio]ethanone

C16H19N3O3S3 (397.0589)

1-[[(4-Bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea

C14H16BrN5O2S (397.0208)

2-bromo-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide

C20H20BrN3O (397.079)

DF5der

C18H17Cl2NO5 (397.0484)

(R)-mefentrifluconazole

C18H15ClF3N3O2 (397.0805)

(S)-mefentrifluconazole

C18H15ClF3N3O2 (397.0805)

N-[1,4-dioxo-3-(1-pyridin-1-iumyl)-2-naphthalenyl]-2-thiophenesulfonamide

C19H13N2O4S2+ (397.0317)

2-(3,4-dimethoxyphenyl)-N-[(4-iodophenyl)methyl]ethanamine

C17H20INO2 (397.0539)

BENSULIDE

C14H24NO4PS3 (397.0605)

4-de(dimethylamino)-4-oxoanhydrotetracycline

C20H15NO8 (397.0798)

A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.

LPS 7:3;O2

C13H20NO11P (397.0774)

p-nitro-Pifithrin-α

C15H16BrN3O3S (397.0096)

p-nitro-Pifithrin-α, a cell-permeable analog of pifithrin-α, is a potent p53 inhibitor. p-nitro-Pifithrin-α suppresses p53-mediated TGF-β1 expression in HK-2 cells. p-nitro-Pifithrin-α inhibits the activation of caspase-3 by Zika virus (ZIKV) strains. p-nitro-Pifithrin-α attenuates steatosis and liver injury in mice fed a high-fat diet [4]. non-alcoholic fatty liver disease[1][2][3].

allylglucosinolate

C10H16KNO9S2 (396.9904)

{"Ingredient_id": "HBIN015249","Ingredient_name": "allylglucosinolate","Alias": "NA","Ingredient_formula": "C10H16KNO9S2","Ingredient_Smile": "C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]","Ingredient_weight": "397.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21380","PubChem_id": "44135691","DrugBank_id": "NA"}