Exact Mass: 441.1623228

Exact Mass Matches: 441.1623228

Found 77 metabolites which its exact mass value is equals to given mass value 441.1623228, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Imidapril hydrochloride

Imidapril (hydrochloride)

C20H28ClN3O6 (441.16665380000006)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

troglitazone

5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazlidinedione

C24H27NO5S (441.1609852000001)


A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5234; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5241; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5206; ORIGINAL_PRECURSOR_SCAN_NO 5205 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5244; ORIGINAL_PRECURSOR_SCAN_NO 5241 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5240; ORIGINAL_PRECURSOR_SCAN_NO 5238 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5233; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9800; ORIGINAL_PRECURSOR_SCAN_NO 9795 CONFIDENCE standard compound; INTERNAL_ID 701; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9806; ORIGINAL_PRECURSOR_SCAN_NO 9803 Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.

   

Mandelonitrile rutinoside

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile

C20H27NO10 (441.1634882000001)


Mandelonitrile rutinoside is found in fruits. Mandelonitrile rutinoside is a constituent of the fruit of purple passion fruit (Passiflora edulis). Constituent of the fruit of purple passion fruit (Passiflora edulis). Mandelonitrile rutinoside is found in fruits.

   

troglitazone

5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

C24H27NO5S (441.1609852000001)


A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Troglitazone is an orally active PPARγ agonist, with EC50s of 550 nM and 780 nM for human and murine?PPARγ receptor, respectively. Troglitazone has anticancer activity, prevents and inhibits the development of type 2 diabetes.

   

4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C24H27NO5S (441.1609852000001)


   
   

4-[(beta-D-glucopyranosyl)-(1->3)-(alpha-L-rhamnopyranosyl)]phenylacetonitrile

4-[(beta-D-glucopyranosyl)-(1->3)-(alpha-L-rhamnopyranosyl)]phenylacetonitrile

C20H27NO10 (441.1634882000001)


   
   
   
   
   

Asp Gly His Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Asp Gly Asn His

(3S)-3-amino-3-[({[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asp His Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Asp His Asn Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asp Asn Gly His

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asp Asn His Gly

(3S)-3-amino-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asp His Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asp Asn His

(3S)-3-(2-aminoacetamido)-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly His Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

Gly His Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

Gly Asn Asp His

(3S)-3-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Gly Asn His Asp

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

His Asp Gly Asn

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]acetamido}-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

His Asp Asn Gly

(3S)-3-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-{[(1S)-2-carbamoyl-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

His Gly Asp Asn

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carboxypropanamido]-3-carbamoylpropanoic acid

C16H23N7O8 (441.1608038)


   

His Gly Asn Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]acetamido}-3-carbamoylpropanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

His Asn Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

His Asn Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]acetamido}butanedioic acid

C16H23N7O8 (441.1608038)


   
   
   
   
   
   

Asn Asp Gly His

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-[({[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Asp His Gly

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Gly Asp His

(3S)-3-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid

C16H23N7O8 (441.1608038)


   

Asn Gly His Asp

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(1H-imidazol-4-yl)propanamido]butanedioic acid

C16H23N7O8 (441.1608038)


   

Asn His Asp Gly

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C16H23N7O8 (441.1608038)


   

Asn His Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]acetamido}butanedioic acid

C16H23N7O8 (441.1608038)


   
   
   
   
   
   

Mandelonitrile rutinoside

2-phenyl-2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]acetonitrile

C20H27NO10 (441.1634882000001)


   
   
   

3-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

3-Phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C24H27NO5S (441.1609852000001)


   
   

Quetiapine Fumarate

Quetiapine Fumarate

C23H27N3O4S (441.1722182000001)


Quetiapine hemifumarate is a 5-HT receptors agonist with a pEC50 of 4.77 for human 5-HT1A receptor. Quetiapine hemifumarate is a dopamine receptor antagonist with a pIC50 of 6.33 for human D2 receptor. Quetiapine hemifumarate has moderate to high affinity for the human D2, HT1A, 5-HT2A, 5-HT2C receptor with pKis of 7.25, 5.74, 7.54, 5.55. Antidepressant and anxiolytic effects[1].

   
   

(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione

(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione

C24H27NO5S (441.1609852000001)


   

Crisnatol mesylate

Crisnatol mesylate

C24H27NO5S (441.1609852000001)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

   

2-[[2-(2-Cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

2-[[2-(2-Cyanophenoxy)-1-oxoethyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylic acid ethyl ester

C23H27N3O4S (441.1722182000001)


   

(2r,4s)-2-[(r)-Benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid

(2r,4s)-2-[(r)-Benzylcarbamoyl-phenylacetyl-methyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid

C23H27N3O4S (441.1722182000001)


   

4-Hydroxy-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-({4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl}methyl)-2,3-dihydro-1,3-thiazol-2-one

C24H27NO5S (441.1609852000001)


   

Cortisol 21-sulfate(1-)

Cortisol 21-sulfate(1-)

C21H29O8S- (441.1583054)


Conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.

   
   

2-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

2-[4-(2-chlorobenzyl)piperazin-1-yl]-N-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide

C22H24ClN5O3 (441.15675840000006)


   

N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(phenylmethyl)acetamide

N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(phenylmethyl)acetamide

C23H27N3O4S (441.1722182000001)


   

3-(phenylazo)-N-acetyl-L-tyrosylglycylglycine

3-(phenylazo)-N-acetyl-L-tyrosylglycylglycine

C21H23N5O6 (441.1648258)


   

[(1S)-7-methoxy-9-methyl-1-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

[(1S)-7-methoxy-9-methyl-1-(3-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C23H27N3O4S (441.1722182000001)


   

[(1R)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

[(1R)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C23H27N3O4S (441.1722182000001)


   

[(1S)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

[(1S)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C23H27N3O4S (441.1722182000001)


   
   
   
   
   
   
   

2,9-Diamino-5,7-bis(trimethylsilyl)benzo[a]pyrimido[2,1,6-cd]pyrrolizine-3,4,8-tricarbonitrile

2,9-Diamino-5,7-bis(trimethylsilyl)benzo[a]pyrimido[2,1,6-cd]pyrrolizine-3,4,8-tricarbonitrile

C22H23N7Si2 (441.1553398)


An organic heterotetracyclic compound consisting of a benzo[a]pyrimido[2,1,6-cd]pyrrolizine ring system having amino substituents at the 2- and 9-positions, trimethylsilyl substituents at the 5- and 7-positions and cyano substituents at the 3-, 4- and 8-postions.

   

(6s)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

(6s)-3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

C27H23NO5 (441.15761480000003)


   

3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

3,4-bis(4-hydroxyphenyl)-6-(2-methylpropyl)-7-oxa-2-azatricyclo[7.4.0.0²,⁶]trideca-1(13),3,9,11-tetraene-5,8-dione

C27H23NO5 (441.15761480000003)