Exact Mass: 404.0548

Exact Mass Matches: 404.0548

Found 170 metabolites which its exact mass value is equals to given mass value 404.0548, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate

C12H20O13S (404.0625)

Citalopram hydrobromide

C20H22BrFN2O (404.0899)

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators

Mollicellin D

13-chloro-5,14-dihydroxy-15-(hydroxymethyl)-7,12-dimethyl-6-(3-methylbut-2-en-1-yl)-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C21H21ClO6 (404.1027)

Mollicellin D is produced by Chaetomium species and mycotoxin. Production by Chaetomium subspecies and mycotoxin.

Sulfoxone

[(4-{4-[(sulphinomethyl)amino]benzenesulphonyl}phenyl)amino]methanesulphinic acid

C14H16N2O6S3 (404.017)

Sulfoxone is only found in individuals that have used or taken this drug. It is a water-soluble sulfone used as an antileprosy drug. It has been used with limited success in the treatment of dermatitis herpetiformis. Sulfoxone is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. The normal substrate for the enzyme, para-aminobenzoic acid (PABA) cannot bind as usual. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent

Urolithin A-3-O-glucuronide

3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid

C19H16O10 (404.0743)

Urolithin A glucuronide is a biomarker of nut consumption in urine.

Urolithin A-8-O-glucuronide

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid

C19H16O10 (404.0743)

Urolithin A-8-O-glucuronide is a conjugate of Urolithin A and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. Glucuronidation, the conversion of chemical compounds to glucuronides, is a method that animals use to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Enzymes that cleave the glycosidic bond of a glucuronide are called glucuronidases. (Wikipedia)

Zopiclone N-oxide

6-(5-Chloro-2-pyridyl)-7-((4-oxo-4-methyl-1-piperazinyl)carbonyloxy)-6,7-dihydro(5H)pyrrolo(3,4-b)pyrazin-5-one

C17H17ClN6O4 (404.1)

Zopiclone N-oxide is a primary, active metabolite of zopiclone. Zopiclone (brand names Imovane, Zimovane, and Dopareel) is a nonbenzodiazepine hypnotic agent used in the treatment of insomnia. Zopiclone is molecularly distinct from benzodiazepine drugs and belongs to the class of drugs known as cyclopyrrolones. However, zopiclone increases the normal transmission of the neurotransmitter gamma-aminobutyric acid (GABA) in the central nervous system, via modulating benzodiazepine receptors in the same way that benzodiazepine drugs do (Wikipedia).

Urolithin a 3-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid

C19H16O10 (404.0743)

Urolithin a 8-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({3-hydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)oxane-2-carboxylic acid

C19H16O10 (404.0743)

Disuccinimido dithiobispropionate

2,5-Dioxopyrrolidin-1-yl 3-({3-[(2,5-dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}disulphanyl)propanoic acid

C14H16N2O8S2 (404.0348)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents

Iolopride

3-Iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide, (R)-isomer, 125I labeled

C15H21IN2O3 (404.0597)

D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists

Dithio bis(succinimidyl propionate)

{[2-(2,5-dioxopyrrolidin-1-yl)propanoyl]oxy}disulphanyl 2-(2,5-dioxopyrrolidin-1-yl)propanoic acid

C14H16N2O8S2 (404.0348)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents

VX-702

2-(2,4-Difluorophenyl)-6-[N-(2,6-difluorophenyl)(C-hydroxycarbonimidoyl)amino]pyridine-3-carboximidate

C19H12F4N4O2 (404.0896)

An aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties.

Cnidimonal

C23H16O7 (404.0896)

5-Chloropropacin

C20H17ClO7 (404.0663)

2-Methoxyisodiospyrin

C23H16O7 (404.0896)

3-Methoxyisodiospyrin

C23H16O7 (404.0896)

DSSTox_CID_27274

C17H19F3N2O4S (404.1018)

4-Cyano-5-{[(diethylamino)carbothioyl]thio}isothiazol-3-yl (diethylamino)methanedithioate

C14H20N4S5 (404.0291)

ZINC1038827

C16H12ClF3N2O5 (404.0387)

2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide

C16H16N6O3S2 (404.0725)

N-{4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}furan-2-carboxamide

C17H16N4O6S (404.0791)

3-Formyl-6-(3-formyl-2,4-dihydroxy-6-methyl-benzoyloxymethyl)-2,4-dihydroxy-benzoesaeure-methylester|3-formyl-6-(3-formyl-2,4-dihydroxy-6-methyl-benzoyloxymethyl)-2,4-dihydroxy-benzoic acid methyl ester|methyl barbatolate

Haemathamnolic acid

C19H16O10 (404.0743)

CP-114271

C17H19F3N2O4S (404.1018)

CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3461; ORIGINAL_PRECURSOR_SCAN_NO 3459 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3459; ORIGINAL_PRECURSOR_SCAN_NO 3456 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3469; ORIGINAL_PRECURSOR_SCAN_NO 3467 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3454; ORIGINAL_PRECURSOR_SCAN_NO 3452 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3530; ORIGINAL_PRECURSOR_SCAN_NO 3529 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3463; ORIGINAL_PRECURSOR_SCAN_NO 3461 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7200; ORIGINAL_PRECURSOR_SCAN_NO 7197 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7214; ORIGINAL_PRECURSOR_SCAN_NO 7212 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7239; ORIGINAL_PRECURSOR_SCAN_NO 7236 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7248; ORIGINAL_PRECURSOR_SCAN_NO 7245 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7237; ORIGINAL_PRECURSOR_SCAN_NO 7235 CONFIDENCE standard compound; INTERNAL_ID 265; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7250; ORIGINAL_PRECURSOR_SCAN_NO 7248

Ribavirin 5-diphosphate

C8H14N4O11P2 (404.0134)

A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5-position is replaced by a diphosphate group. It is the metabolite of the antiviral agent ribavirin.

Met-Phe-OH

(S)-2-(3-(2-(methylthio)ethoxy)-4-nitrobenzamido)-3-phenylpropanoic acid

C19H20N2O6S (404.1042)

Asp-Tyr-OH

(S)-2-(3-(carboxymethoxy)-4-nitrobenzamido)-3-(4-hydroxyphenyl)propanoic acid

C18H16N2O9 (404.0856)

Phe-Met-OH

(S)-2-(3-(benzyloxy)-4-nitrobenzamido)-5-(methylthio)pentanoic acid

C19H20N2O6S (404.1042)

Sulfoxone

Adesulfone Sodium;Aldesulfone Sodium;Sodium Aldesulphone;Sodium Sulfoxone;Sulfoxone Sodium

C14H16N2O6S3 (404.017)

C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent

Urolithin a-O-glucuronide

3,4,5-trihydroxy-6-({8-hydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)oxane-2-carboxylic acid

C19H16O10 (404.0743)

Mollicellin D

13-chloro-5,14-dihydroxy-15-(hydroxymethyl)-7,12-dimethyl-6-(3-methylbut-2-en-1-yl)-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one

C21H21ClO6 (404.1027)

Brilliant sulfaflavine

Brilliant acid flavine 10J

C19H13N2NaO5S (404.0443)

Benzoic acid,2-hydroxy-5-[2-[4-[(2-thiazolylamino)sulfonyl]phenyl]diazenyl]-

C16H12N4O5S2 (404.0249)

1H,1H-Nonafluoropentyl p-toluenesulfonate

C12H9F9O3S (404.0129)

N-(3-Chloro-4-fluorophenyl)-6-nitro-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4-quinazolinamine

C18H14ClFN4O4 (404.0688)

TC-S 7006

C21H14ClFN6 (404.0952)

2-naphthyl 4-phenylazophenyl phosphate*

C22H17N2O4P (404.0926)

2,2-[1,4-phenylenebis (carbonylimino)] bis-Benzoic acid

C22H16N2O6 (404.1008)

2-[(4-chloro-2-nitrophenyl)azo]-N-(4-ethoxyphenyl)-3-oxobutyramide

C18H17ClN4O5 (404.0887)

1-Naphthyl 4-phenylazophenyl phosphate

C22H17N2O4P (404.0926)

tert-Butyl 3-((3-iodopyridin-2-yloxy)methyl)-pyrrolidine-1-carboxylate

C15H21IN2O3 (404.0597)

3-(METHOXYCARBONYL)-5-(((4-NITROBENZYL)OXY)CARBONYL)-4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE-2-CARBOXYLIC ACID

C17H16N4O8 (404.0968)

m-cresol purple, sodium salt

C21H17NaO5S (404.0694)

NS 3763

C22H16N2O6 (404.1008)

Nicotinamide Riboside Triflate

C12H15F3N2O8S (404.0501)

9-ING-41

C22H13FN2O5 (404.0808)

(OXYDI-2,1-PHENYLENE)BIS(DIPHENYLPHOSPHINE)

C10H5F13O2 (404.0082)

7-Amino-3 chloromethyl-3-cephem-4-carboxylic Acid p-Methoxybenzyl Ester Hydrochloride

C16H18Cl2N2O4S (404.0364)

Triphenylmethylphosphinium iodide

C19H18IP (404.0191)

(Z)-4-hydroxypent-3-en-2-one,(E)-4-hydroxypent-3-en-2-one,yttrium,hydrate

C15H23O7Y (404.0502)

NVP-ACC789

C21H17BrN4 (404.0637)

Metacresol purple sodium salt

C21H17NaO5S (404.0694)

Ethylenediaminetetraacetic acid dipotassium salt dihydrate

C10H18K2N2O10 (404.0236)

2-Chloro-5-(tributylstannyl)pyrimidine

C16H29ClN2Sn (404.1041)

6-BROMO-4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE

C21H17BrN4 (404.0637)

7-BROMO-4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE

C21H17BrN4 (404.0637)

Methyltriphenylphosphonium iodide

C19H18IP (404.0191)

1-Acetyl-3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

C19H14Cl2N2O4 (404.0331)

3-(1H,1H-Nonafluoropentyl)-4-methylcyclopentane-1,1-dicarboxylic acid

C13H13F9O4 (404.067)

carbon monoxide,(1Z,5Z)-cycloocta-1,5-diene,tungsten

C12H12O4W (404.0245)

3,3,3-tris(4-chlorophenyl)propanoic acid

C21H15Cl3O2 (404.0138)

2-(Bromomethyl)-4-fluoro-5-isopropyl-2-Methoxy-4-(trifluoromethyl)biphenyl

C18H17BrF4O (404.0399)

Sodium 7-(1H-tetrazol-1-yl)acetamidocephalosporanate

C13H13N6NaO6S (404.0515)

98Z99JE779

C19H20N2O6S (404.1042)

Ethydiaminedhephen acetic sodium salt

C18H18N2Na2O6 (404.096)

k-ras(g12c) inhibitor 6

C17H22Cl2N2O3S (404.0728)

TERT-BUTYL 4-((4-BROMOPHENYL)SULFONYL)PIPERAZINE-1-CARBOXYLATE

C15H21BrN2O4S (404.0405)

rubidium tetraphenylborate

C24H20BRb (404.0776)

methyl(triphenyl)phosphanium,iodide

C19H18IP (404.0191)

(2-CHLOROBIPHENYL-4-YL)-METHANOL

C20H19BrClP (404.0096)

Cresol red

C21H17NaO5S (404.0694)

Arclofenin

C19H17ClN2O6 (404.0775)

Thiphencillin potassium

C16H17KN2O4S2 (404.0267)

C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

Glycyladenylate

C12H17N6O8P (404.0845)

Urolithin A glucuronide

C19H16O10 (404.0743)

5-(p-Nitrophenyl)thioadenosine

C16H16N6O5S (404.0903)

Acetic acid, (4-((2R)-2-(((2S)-2-hydroxy-2-(2-(trifluoromethyl)-4-thiazolyl)ethyl)amino)propyl)phenoxy)-

C17H19F3N2O4S (404.1018)

5-(3-Methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine

C15H12N6O2S3 (404.0184)

4-[2-(4-Bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester

C15H18BrClN2O4 (404.0138)

N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-6-carboxamide

C18H16N2O5S2 (404.0501)

Eszopiclone N-Oxide

C17H17ClN6O4 (404.1)

Escitalopram hydrobromide

C20H22BrFN2O (404.0899)

5-Azacytidine 5-diphosphate

C8H14N4O11P2 (404.0134)

Aluminoparaaminosalicylate calcium anhydrous

C14H13AlCaN2O8 (404.0113)

(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide

C20H22BrFN2O (404.0899)

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3,5-dimethoxyphenyl)pyrimidin-4-amine

C19H18Cl2N4O2 (404.0807)

(2r)-2-Amino-3,3,3-Trifluoro-N-Hydroxy-2-{[(4-Phenoxyphenyl)sulfonyl]methyl}propanamide

C16H15F3N2O5S (404.0654)

N-[2-(4-Carboxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(2-trifluoromethyl-thiazol-4-yl)ethanamine

C17H19F3N2O4S (404.1018)

3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-beta-D-galactopyranose 4-sulfate

C12H20O13S (404.0625)

Isourolithin A glucuronide

C19H16O10 (404.0743)

Glycyl-adenosine-5-phosphate

C12H17N6O8P (404.0845)

3-glycyl-AMP

C12H17N6O8P (404.0845)

C19H16O10 (404.0743)

urolithin A 3-O-glucuronide

C19H16O10 (404.0743)

A member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 3 has been replaced by a beta-D-glucuronosyl group.

urolithin A 8-O-glucuronide

C19H16O10 (404.0743)

A member of the class of benzochromenones that is urolithin A in which the phenolic hydrogen at position 8 has been replaced by a beta-D-glucuronosyl group.

glucocleomin(1-)

C12H22NO10S2 (404.0685)

A hydroxy-alkylglucosinolate that is 2-methylbutylglucosinolate which has been hydroxylated at the 2-position of the 2-methylbutyl chain.

Aluminoparaaminosalicylate calcium

(C7H5NO3)2. Al. H2O. OH. Ca (404.0113)

Glycyl-AMP

C12H17N6O8P (404.0845)

4BP-TQS

C18H17BrN2O2S (404.0194)

4BP-TQS is a potent allosteric agonist of α7 nAChR. 4BP-TQS activates nAChRs via an allosteric transmembrane site[1].

AMPA receptor modulator-2

C15H6F6N4OS (404.0166)

AMPA receptor modulator-2 (Example 134) is a AMPA receptor modulator, with a pIC50 of 10.1 for TARPγ2 dependent AMPA receptor[1]. pIC50 = -lgIC50.

Leramistat

C20H21ClN2O3S (404.0961)

C19H20N2O4S2 (404.0864)

5-bromo-4-[(2e)-but-2-en-2-yl]-6,14-dihydroxy-7,12-dimethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C19H17BrO5 (404.0259)