Exact Mass: 452.0403

Exact Mass Matches: 452.0403

Found 58 metabolites which its exact mass value is equals to given mass value 452.0403, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Acid Orange 3

2-Anilino-5-(2,4-dinitroanilino)-benzenesulfonic acid

C18H13N4NaO7S (452.0403)


   

3,4-Hexahydroxydiphenoylarabinose

3,4,5,13,14,20,21,22-octahydroxy-9,12,16-trioxatetracyclo[16.4.0.0²,⁷.0¹⁰,¹⁵]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione

C19H16O13 (452.0591)


3,4-Hexahydroxydiphenoylarabinose is found in fruits. 3,4-Hexahydroxydiphenoylarabinose is isolated from fruits of Psidium guajava (guava). Isolated from fruits of Psidium guajava (guava). 3,4-Hexahydroxydiphenoylarabinose is found in fruits.

   

Torvanol A

(2E)-3-{4-hydroxy-3-methoxy-5-[6-methoxy-4-(sulphooxy)-3,4-dihydro-2H-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

C20H20O10S (452.0777)


Torvanol A is found in fruits. Torvanol A is a constituent of the fruit of Solanum torvum. Constituent of the fruit of Solanum torvum. Torvanol A is found in fruits.

   

Allura red AC

6-Hydroxy-5-[(e)-2-(2-methoxy-5-methyl-4-sulphophenyl)diazen-1-yl]naphthalene-2-sulphonic acid

C18H16N2O8S2 (452.0348)


Colour additive used in gelatins, puddings, custards, beverages, sauces, toppings, fruits, dairy products, bakery products, jams, jellies, condiments, meat and poultry Allura Red AC is a red azo dye that goes by several names including: Allura Red, Food Red 17, C.I. 16035, FD&C Red 40, 2-naphthalenesulfonic acid, 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-, disodium salt, and disodium 6-hydroxy-5-((2-methoxy-5-methyl-4-sulfophenyl)azo)-2-naphthalene-sulfonate. It is used as a food dye and has the E number E129. Allura Red AC was originally introduced in the United States as a replacement for the use of amaranth as a food coloring. Allura Red AC is one of many High Production Volume Chemicals. Some manufacturers of Allura Red AC include: Asim Products, Sanchi Chemicals Pvt. Ltd., and Warner-Jenkinson Europe Ltd. Upon its introduction into the market, there were fears that Allura Red AC was carcinogenic; however, studies have since shown that this is not the case.[citation needed] The initial reports of its consumption causing tumors have since been shown to have been caused by the presence of para-cresidine.[citation needed] Although para-cresidine is an important reactant in the manufacture of Allura Red AC and is a known carcinogen, further studies conducted since have found no trace of para-cresidine to be present in food-grade Allura Red AC.[citation needed]. Colour additive used in gelatins, puddings, custards, beverages, sauces, toppings, fruits, dairy products, bakery products, jams, jellies, condiments, meat and poultry

   

Lirodenine

4-{[(4-cyanophenyl)(phenyl)phosphoroso](phenyl)phosphoroso}benzonitrile

C26H18N2O2P2 (452.0843)


Lirodenine is a member of the class of compounds known as benzonitriles. Benzonitriles are organic compounds containing a benzene bearing a nitrile substituent. Lirodenine is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Lirodenine can be found in custard apple, which makes lirodenine a potential biomarker for the consumption of this food product.

   

Flavogallol

4,5,6,12,18,19-hexahydroxy-10,14,21-trioxahexacyclo[14.6.2.0²,¹¹.0³,⁸.0¹³,²³.0²⁰,²⁴]tetracosa-1(23),2(11),3(8),4,6,12,16,18,20(24)-nonaene-9,15,22-trione

C21H8O12 (452.0016)


Flavogallol is a member of the class of compounds known as hydrolyzable tannins. Hydrolyzable tannins are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Flavogallol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Flavogallol can be found in pomegranate, which makes flavogallol a potential biomarker for the consumption of this food product.

   

Arabinopyranose cyclic 3,4-(4,4,5,5,6,6-hexahydroxydiphenate)

Arabinopyranose cyclic 3,4-(4,4,5,5,6,6-hexahydroxydiphenate)

C19H16O13 (452.0591)


   
   
   

premithramycinone G

premithramycinone G

C23H16O10 (452.0743)


   

(5Z,11E,15E,19E)-6,20-dibromoeicosa-5,11,15,19-tetraen-9,17-diynoic acid|6-Bromo(Z)-20-Bromo-5, 11, 15, 19-eicosatetraene-9, 17-diynoic aicd

(5Z,11E,15E,19E)-6,20-dibromoeicosa-5,11,15,19-tetraen-9,17-diynoic acid|6-Bromo(Z)-20-Bromo-5, 11, 15, 19-eicosatetraene-9, 17-diynoic aicd

C20H22Br2O2 (451.9986)


   

Flavogallol

Flavogallol

C21H8O12 (452.0016)


   

4-O-Methylpeniosanguin

4-O-Methylpeniosanguin

C27H16O7 (452.0896)


   

Curry red

6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazen-1-yl]naphthalene-2-sulfonic acid

C18H16N2O8S2 (452.0348)


   

3,4-Hexahydroxydiphenoylarabinose

3,4,5,13,14,20,21,22-octahydroxy-9,12,16-trioxatetracyclo[16.4.0.0^{2,7}.0^{10,15}]docosa-1(18),2(7),3,5,19,21-hexaene-8,17-dione

C19H16O13 (452.0591)


   

Torvanol A

(2E)-3-{4-hydroxy-3-methoxy-5-[6-methoxy-4-(sulfooxy)-3,4-dihydro-2H-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

C20H20O10S (452.0777)


   

(5-BROMOTHIOPHEN-2-YL)TRIBUTYLSTANNANE

(5-BROMOTHIOPHEN-2-YL)TRIBUTYLSTANNANE

C16H29BrSSn (452.0195)


   

Samarium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-

Samarium,tris(2,4-pentanedionato-kO2,kO4)-, (OC-6-11)-

C15H24O6Sm (452.077)


   

cesium,tetraphenylboranuide

cesium,tetraphenylboranuide

C24H20BCs (452.0712)


   

1H,1H,2H,2H-PERFLUOROOCTYLMETHYLDIMETHOXYSILANE

1H,1H,2H,2H-PERFLUOROOCTYLMETHYLDIMETHOXYSILANE

C11H13F13O2Si (452.0477)


   

1-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentof uranose

1-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-β-D-erythro-pentof uranose

C21H18Cl2O7 (452.043)


   

Iodonium, diphenyl-, 4-methylbenzenesulfonate (9CI)

Iodonium, diphenyl-, 4-methylbenzenesulfonate (9CI)

C19H17IO3S (451.9943)


   

(3-trimethylsilyl-2-propynyl)triphenylphosphonium bromide

(3-trimethylsilyl-2-propynyl)triphenylphosphonium bromide

C24H26BrPSi (452.0725)


   

8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione

8-Bromo-7-but-2-ynyl-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione

C20H17BrN6O2 (452.0596)


   

1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose

1-O-Acetyl-3,5-bis-(4-chlorobenzoyl)-2-deoxy-D-ribose

C21H18Cl2O7 (452.043)


   

methyltriphenoxyphosphonium iodide

methyltriphenoxyphosphonium iodide

C19H18IO3P (452.0038)


   

ethylenediaminetetraacetic acid tetrasodium salt

ethylenediaminetetraacetic acid tetrasodium salt

C10H20N2Na4O12 (452.0607)


   

Triphenylsulfonium hexafluoroarsenate, As 15.5\\% min

Triphenylsulfonium hexafluoroarsenate, As 15.5\\% min

C18H15AsF6S (452.0015)


   
   

2-Deoxy-beta-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)

2-Deoxy-beta-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate)

C21H18Cl2O7 (452.043)


   

1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate)

1-Thio-beta-D-glucopyranose 2,3,4,6-tetraacetate 1-(O-ethylcarbonodithioate)

C17H24O10S2 (452.0811)


   

BNC-105p free acid

BNC-105p free acid

C20H21O10P (452.0872)


   

Tjp6T3tjp4

Tjp6T3tjp4

C18H16N2O8S2 (452.0348)


D000074385 - Food Ingredients > D005503 - Food Additives > D005505 - Food Coloring Agents D004396 - Coloring Agents

   
   

1-(2,6-Difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine

1-(2,6-Difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine

C20H18F2N2O4S2 (452.0676)


   

Propanoic acid, 3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]-

Propanoic acid, 3-[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]-

C11H9F13O2S (452.0116)


   

2-Acetyl-1,3,7,9,11-pentahydroxy-3-(3-oxobutanoyl)cyclopenta[b]anthracene-5,10-dione

2-Acetyl-1,3,7,9,11-pentahydroxy-3-(3-oxobutanoyl)cyclopenta[b]anthracene-5,10-dione

C23H16O10 (452.0743)


   

tetracenomycin A2 epoxyquinone

tetracenomycin A2 epoxyquinone

C23H16O10 (452.0743)


   
   
   

Glycosmisic acid sulfate

Glycosmisic acid sulfate

C20H20O10S (452.0777)


A guaiacyl lignin that is glycosmisic acid in which the alcoholic hydrogen is replaced by a sulfo group.

   

Glycosmisic acid 4-sulfate

Glycosmisic acid 4-sulfate

C20H20O10S (452.0777)


A guaiacyl lignin that is glycosmisic acid in which the phenolic hydrogen is replaced by a sulfo group.

   

5-bromo-N-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-furohydrazide

5-bromo-N-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-furohydrazide

C21H14BrFN4O2 (452.0284)


   

2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide

2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide

C19H21ClN4O3S2 (452.0744)


   

[2-[(2-Bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone

[2-[(2-Bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone

C22H21BrN4O2 (452.0848)


   

torvanol A hydrogen sulfate

torvanol A hydrogen sulfate

C20H20O10S (452.0777)


   

Isoniazid calcium pyruvate

Isoniazid calcium pyruvate

C18H16CaN6O6 (452.0757)


   

2-(4-Aminophenyl)-6-methyl[2,6-bi-1,3-benzothiazole]-7-sulfonate

2-(4-Aminophenyl)-6-methyl[2,6-bi-1,3-benzothiazole]-7-sulfonate

C21H14N3O3S3- (452.0197)


   

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] pyridine-3-carboxylate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] pyridine-3-carboxylate

C16H17N6O8P (452.0845)


   

5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione

5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione

C19H20N2O5S3 (452.0534)


   

(2e)-3-{4-hydroxy-3-methoxy-5-[(3s,4r)-6-methoxy-4-(sulfooxy)-3,4-dihydro-2h-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

(2e)-3-{4-hydroxy-3-methoxy-5-[(3s,4r)-6-methoxy-4-(sulfooxy)-3,4-dihydro-2h-1-benzopyran-3-yl]phenyl}prop-2-enoic acid

C20H20O10S (452.0777)


   

5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C19H20N2O7S2 (452.0712)


   

(1r,4s,5s,9s,11r,14s,15r,16s,19r)-5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

(1r,4s,5s,9s,11r,14s,15r,16s,19r)-5,15-dihydroxy-16-methoxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docos-6-ene-2,8,12,18-tetrone

C19H20N2O7S2 (452.0712)


   

13,14-dihydroxy-3-(4-methoxyphenyl)-7-phenyl-5,10-dioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1(9),2,6,11,13,15-hexaene-4,8-dione

13,14-dihydroxy-3-(4-methoxyphenyl)-7-phenyl-5,10-dioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁶]hexadeca-1(9),2,6,11,13,15-hexaene-4,8-dione

C27H16O7 (452.0896)


   

(1r,4s,5s,11r,14s,15r,18r,22r)-5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione

(1r,4s,5s,11r,14s,15r,18r,22r)-5,22-dihydroxy-11-(methylsulfanyl)-19,20-dithia-3,13-diazahexacyclo[13.5.1.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]docosa-6,8-diene-2,12,16-trione

C19H20N2O5S3 (452.0534)


   

2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol

2,6-dichloro-4-(2,4-dichloro-3-hydroxy-5-propylphenoxy)-3-methoxy-5-propylphenol

C19H20Cl4O4 (452.0116)


   

(1e,4s,5r,7r,10r,12e)-17-bromo-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol

(1e,4s,5r,7r,10r,12e)-17-bromo-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol

C20H31BrCl2O2 (452.0884)


   

glycosmisic acid 4'-sulfate

glycosmisic acid 4'-sulfate

C20H20O10S (452.0777)