Exact Mass: 519.1096

Exact Mass Matches: 519.1096

Found 23 metabolites which its exact mass value is equals to given mass value 519.1096, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Pelargonidin 3-(6'-malonylglucoside)

3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium

C24H23O13+ (519.1139)


Pelargonidin 3-(6-malonylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-(6-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6-malonylglucoside) can be found in cloudberry, lupine, red raspberry, and strawberry, which makes pelargonidin 3-(6-malonylglucoside) a potential biomarker for the consumption of these food products.

   

Dabrafenib

N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzene-1-sulfonamide

C23H20F3N5O2S2 (519.101)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EC - B-raf serine-threonine kinase (braf) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Dabrafenib (GSK2118436A) is an ATP-competitive inhibitor of Raf with IC50s of 5 nM and 0.6 nM for C-Raf and B-RafV600E, respectively[4].

   
   
   

Pelargonidin 3-(6-malonylglucoside)

3- [ [ 6-O- (1,3-Dioxo-3-hydroxypropyl) -beta-D-glucopyranosyl ] oxy ] -4,5,7-trihydroxyflavylium

C24H23O13 (519.1139)


   
   

Dabrafenib

Dabrafenib

C23H20F3N5O2S2 (519.101)


L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EC - B-raf serine-threonine kinase (braf) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2336 - Raf Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Dabrafenib (GSK2118436A) is an ATP-competitive inhibitor of Raf with IC50s of 5 nM and 0.6 nM for C-Raf and B-RafV600E, respectively[4].

   

Pelargonidin-3-(6-malonylglucoside)

Pelargonidin-3-(6-malonylglucoside)

[C24H23O13]+ (519.1139)


   
   

2-Thioxo-4-oxo-5-[3-[(alpha-methylbenzyl)oxy]-4-(phenethyloxy)benzylidene]thiazolidine-3-acetic acid

2-Thioxo-4-oxo-5-[3-[(alpha-methylbenzyl)oxy]-4-(phenethyloxy)benzylidene]thiazolidine-3-acetic acid

C28H25NO5S2 (519.1174)


   

(2S)-naringenin 7-O-(6-O-malonyl-beta-D-glucoside)

(2S)-naringenin 7-O-(6-O-malonyl-beta-D-glucoside)

C24H23O13- (519.1139)


   
   

3-[2-[(E,3E)-3-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

3-[2-[(E,3E)-3-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)-2-methoxyprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

C24H27N2O5S3+ (519.1082)


   

Pelargonidin 3-(6-malonylglucoside)

Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside)

C24H23O13+ (519.1139)


   

Aristoloside

aristoloside

C23H21NO13 (519.1013)


{"Ingredient_id": "HBIN016829","Ingredient_name": "Aristoloside","Alias": "aristoloside","Ingredient_formula": "C23H21NO13","Ingredient_Smile": "COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)OC5C(C(C(C(O5)CO)O)O)O","Ingredient_weight": "519.41","OB_score": "3.865093461","CAS_id": "84014-70-0","SymMap_id": "SMIT11792","TCMID_id": "1725","TCMSP_id": "MOL010802","TCM_ID_id": "6651","PubChem_id": "128576","DrugBank_id": "NA"}

   

3-{[(2s,3r,4r,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,3r,4r,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C24H23O13]+ (519.1139)


   

(2s)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-4-methylpentanimidic acid

(2s)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-4-methylpentanimidic acid

C21H35Br2N3O2 (519.1096)


   

3-{[(2s,5s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,5s)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C24H23O13]+ (519.1139)


   

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-4-methylpentanimidic acid

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-4-methylpentanimidic acid

C21H35Br2N3O2 (519.1096)


   

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-3-methylpentanimidic acid

n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-3-methylpentanimidic acid

C21H35Br2N3O2 (519.1096)


   

3-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

3-{[(2s,3r,4s,5s,6r)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1λ⁴-chromen-1-ylium

[C24H23O13]+ (519.1139)


   

8-methoxy-6-nitro-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

8-methoxy-6-nitro-10-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

C23H21NO13 (519.1013)


   

(2s,3s)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-3-methylpentanimidic acid

(2s,3s)-n-(3-{[2-(2,4-dibromo-5-methoxyphenyl)ethyl](methyl)amino}propyl)-2-(dimethylamino)-3-methylpentanimidic acid

C21H35Br2N3O2 (519.1096)