Exact Mass: 520.044896

Exact Mass Matches: 520.044896

Found 47 metabolites which its exact mass value is equals to given mass value 520.044896, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pseudohypericin

9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione

C30H16O9 (520.0794286)

Pseudohypericin is an ortho- and peri-fused polycyclic arene. Pseudohypericin is a natural product found in Hypericum bithynicum, Hypericum linarioides, and other organisms with data available. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors

Avagacestat

C20H17ClF4N4O4S (520.059512)

D004791 - Enzyme Inhibitors > D000091062 - Gamma Secretase Inhibitors and Modulators C471 - Enzyme Inhibitor > C783 - Protease Inhibitor

3,3',5-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone 3-glucuronide

3,4,5-trihydroxy-6-{[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}oxane-2-carboxylic acid

C23H20O14 (520.085302)

3,3,5-Trihydroxy-4-methoxy-6,7-methylenedioxyflavone 3-glucuronide is found in green vegetables. 3,3,5-Trihydroxy-4-methoxy-6,7-methylenedioxyflavone 3-glucuronide is a constituent of spinach.

3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

C23H20O14 (520.085302)

3,4,5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables. 3,4,5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is isolated from spinach (Spinacia oleracea). Isolated from spinach (Spinacia oleracea). 3,4,5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is found in green vegetables and spinach.

Avagacestat

5,5,5-Trifluoro-2-(N-{[2-fluoro-4-(1,2,4-oxadiazol-3-yl)phenyl]methyl}4-chlorobenzenesulphonamido)pentanimidic acid

C20H17ClF4N4O4S (520.059512)

Bathocuproine disulfonate

4-[2,9-dimethyl-7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzene-1-sulfonic acid

C26H20N2O6S2 (520.076274)

Pseudohypericin

9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[13.11.1.1^{2,10}.0^{3,8}.0^{4,25}.0^{19,27}.0^{21,26}.0^{14,28}]octacosa-1,3,5,8,10,12,14(28),15(27),16,18,20,23,25-tridecaene-7,22-dione

C30H16O9 (520.0794286)

D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D004791 - Enzyme Inhibitors

5,3',4'-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

C23H20O14 (520.085302)

5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is a member of the class of compounds known as flavonoid o-glucuronides. Flavonoid o-glucuronides are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid. 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide can be found in spinach, which makes 5,3,4-trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide a potential biomarker for the consumption of this food product.

Legumin

Disodium 4-(2,4-dichlorophenoxy)butanoic acid 4-(4-chloro-2-methylphenoxy)butanoic acid

C21H21Cl3Na2O6 (520.0199056)

Legumin can be found in common pea, which makes legumin a potential biomarker for the consumption of this food product. Legumin, or vegetable casein, is a protein substance analogous to the casein of milk, obtained from beans, peas, lentils, vetches, hemp (specifically edestin) and other leguminous seeds. It is a globulin and structurally similar to the 11S globulin family .

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063387 - Cannabinoid Receptor Antagonists C78272 - Agent Affecting Nervous System > C29728 - Anorexiant CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10550; ORIGINAL_PRECURSOR_SCAN_NO 10548 CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10577; ORIGINAL_PRECURSOR_SCAN_NO 10576 CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10604; ORIGINAL_PRECURSOR_SCAN_NO 10602 CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10624; ORIGINAL_PRECURSOR_SCAN_NO 10622 CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10601; ORIGINAL_PRECURSOR_SCAN_NO 10599 CONFIDENCE standard compound; INTERNAL_ID 268; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10632; ORIGINAL_PRECURSOR_SCAN_NO 10630

3',4',5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4'-glucuronide

3,4,5-trihydroxy-6-(2-hydroxy-4-{9-hydroxy-7-methoxy-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-6-yl}phenoxy)oxane-2-carboxylic acid

C23H20O14 (520.085302)

3,3',5-Trihydroxy-4'-methoxy-6,7-methylenedioxyflavone 3-glucuronide

3,4,5-trihydroxy-6-{[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-2H,8H-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}oxane-2-carboxylic acid

C23H20O14 (520.085302)

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl acetate

C13H9F17O2 (520.0331057999999)

3,3-dipropylthiacarbocyanine iodide

C23H25IN2S2 (520.050384)

Doxycycline calcium (internal use)

dicalcium,(5R,5aR,6S,6aR,7S,10aS)-9-[amino(oxido)methylidene]-7-(dimethylamino)-10a-hydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracene-1,6,12-triolate

C22H20Ca2N2O8 (520.047142)

bismuth sodium ethylenediaminetetraacetate

C10H12BiN2NaO8 (520.0295212)

1,5-Pentanediol,2,2,3,3,4,4-hexafluoro-, 1,5-bis(4-methylbenzenesulfonate)

C19H18F6O6S2 (520.044896)

Bis(N-(2-mercaptophenyl)benzamidato-N,S)zinc

C26H20N2O2S2Zn (520.025759)

X-glucuronide CHA salt

C20H26BrClN2O7 (520.0611816)

(4-Phenylthiophenyl)diphenylsulfonium triflate

C25H19F3O3S3 (520.044838)

5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt

C20H26BrClN2O7 (520.0611816)

5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt

C20H26BrClN2O7 (520.0611816)

cis-Bis(2,2-bipyridyl)dichlororutheniuM(II) Dihydrate

C20H16Cl2N4Ru.2H2O (520.000664)

7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol

C14H13F17O (520.0694892)

2-(PERFLUOROOCTYL)ETHYL ALLYL SULFIDE

C13H9F17S (520.0153478)

Bathocuproine disulfonate

C26H20N2O6S2 (520.076274)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D064449 - Sequestering Agents > D002614 - Chelating Agents

3-Methoxy-3,5-dihydroxy-4-(beta-D-glucopyranuronosyloxy)-6,7-(methylenedioxy)flavone

C23H20O14 (520.085302)

3-[(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3-oxopropanoic acid

C23H20O14 (520.085302)

1-[3-[(5-bromo-2-pyridinyl)-[(4-chlorophenyl)methyl]amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

C22H26BrClN6S (520.0811446)

3,4,5-Trihydroxy-3-methoxy-6,7-methylenedioxyflavone 4-glucuronide

C23H20O14 (520.085302)

5-Propargylamino-dCTP

C12H19N4O13P3 (520.0161474)

5-Propargylamino-dCTP is a nucleoside molecule extracted from patent US9035035B2, compound dCTP-PA. 5-Propargylamino-dCTP can conjugate to molecular markers for use in nucleic acid labeling or sequence analysis[1]. 5-Propargylamino-dCTP is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

(1s,4s)-4-bromo-1-{[(1s,4s,5s,6r,9s,10s)-9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-4-yl]methyl}-3,3-dimethylcyclohexyl acetate

C22H34Br2O4 (520.0823684)

4-bromo-1-({9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-4-yl}methyl)-3,3-dimethylcyclohexyl acetate

C22H34Br2O4 (520.0823684)

7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,9-trihydroxy-12,12-dimethyltetracene-5,6,11-trione

C28H21ClO8 (520.0924896)

(1s,4s)-4-bromo-1-{[(1s,4s,5s,6r,9s,10r)-9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-4-yl]methyl}-3,3-dimethylcyclohexyl acetate

C22H34Br2O4 (520.0823684)

(1s,4s)-4-bromo-1-{[(1s,4s,5s,6r,9s)-9-bromo-10-hydroxy-6-methyl-11-oxatricyclo[4.3.2.0¹,⁵]undecan-4-yl]methyl}-3,3-dimethylcyclohexyl acetate

C22H34Br2O4 (520.0823684)

5,7,11,18,22,24-hexahydroxy-13-(hydroxymethyl)-16-methyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione

5,7,11,18,22,24-hexahydroxy-13-(hydroxymethyl)-16-methyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1,3,5,7,10(28),11,13,15(27),16,18,21(26),22,24-tridecaene-9,20-dione

C30H16O9 (520.0794286)

(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[9-hydroxy-6-(3-hydroxy-4-methoxyphenyl)-8-oxo-2h-[1,3]dioxolo[4,5-g]chromen-7-yl]oxy}oxane-2-carboxylic acid

C23H20O14 (520.085302)

9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(26),2,4(25),5,8,10,12,14(28),15,17,19(27),20,23-tridecaene-7,22-dione

9,11,13,16,18,20-hexahydroxy-5-(hydroxymethyl)-24-methyloctacyclo[13.11.1.1²,¹⁰.0³,⁸.0⁴,²⁵.0¹⁹,²⁷.0²¹,²⁶.0¹⁴,²⁸]octacosa-1(26),2,4(25),5,8,10,12,14(28),15,17,19(27),20,23-tridecaene-7,22-dione

C30H16O9 (520.0794286)