Exact Mass: 464.02096900000004

Exact Mass Matches: 464.02096900000004

Found 48 metabolites which its exact mass value is equals to given mass value 464.02096900000004, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

FT-0696949

4-Hydroxy-3-indolylmethylglucosinolate

C16H20N2O10S2 (464.05593400000004)

Triclosan glucuronide

(2S,3S,4S,5R,6S)-6-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H15Cl3O8 (463.983248)

Triclosan glucuronide is a metabolite of the bacteriostat, Triclosan. Triclosan is metabolized to the glucuronide, and to the sulfate. Triclosan is an antibacterial and antifungal agent. It is a polychloro phenoxy phenol. It is present in soaps, shampoos, deodorants, toothpastes, mouth washes, and cleaning supplies. Triclosan has been shown to be effective in reducing and controlling bacterial contamination on the hands and on treated products. (Wikipedia)

5-Chloromethylfluorescein diacetate

3-(acetyloxy)-5-(chloromethyl)-3-oxo-3H-spiro[2-benzofuran-1,9-xanthene]-6-yl acetate

C25H17ClO7 (464.0662762)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

1,1,2,2-Tetrahydroperfluoro-1-decanol

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-ol

C10H5F17O (464.00689239999997)

Bis(perfluorobutyl)ethene

1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodec-5-ene

C10H2F18 (463.98690679999993)

Stavudine triphosphate

{[hydroxy({[hydroxy({[5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy})phosphoryl]oxy})phosphoryl]oxy}phosphonic acid

C10H15N2O13P3 (463.978701)

Ellagic acid glucoside

7,13,14-trihydroxy-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione

C20H16O13 (464.0590886)

Ellagic acid glucoside 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. Ellagic acid glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Ellagic acid glucoside can be found in pomegranate and strawberry, which makes ellagic acid glucoside a potential biomarker for the consumption of these food products.

5-Hydroxyglucobrassicin

{[(Z)-[2-(5-hydroxy-1H-indol-3-yl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C16H20N2O10S2 (464.05593400000004)

5-hydroxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-hydroxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-hydroxyglucobrassicin can be found in broccoli, cauliflower, and kohlrabi, which makes 5-hydroxyglucobrassicin a potential biomarker for the consumption of these food products.

4-Hydroxyglucobrassicin

{[(Z)-[2-(4-hydroxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

C16H20N2O10S2 (464.05593400000004)

4-hydroxyglucobrassicin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-hydroxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-hydroxyglucobrassicin can be found in a number of food items such as broccoli, cabbage, chinese cabbage, and swede, which makes 4-hydroxyglucobrassicin a potential biomarker for the consumption of these food products.

Falconensin H

C22H18Cl2O7 (464.04295379999996)

5-Hydroxyglucobrassicin

5-Hydroxy-3-indolylmethylglucosinolate

C16H20N2O10S2 (464.05593400000004)

4-hydroxyglucobrassicin

4-Hydroxy-3-indolylmethylglucosinolate

C16H20N2O10S2 (464.05593400000004)

An indolylmethylglucosinolic acid that is glucobrassicin bearing a hydroxy substituent at position 4 on the indole ring.

2-(Perfluorooctyl)ethanol

1,1,2,2-Tetrahydroperfluoro-1-decanol

C10H5F17O (464.00689239999997)

CASMI2013 Challenge_15 MS2 data, retention time = 7.3 min CASMI2013 Challenge_15 MS1 data, retention time = 7.3 min

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(4-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C16H20N2O10S2 (464.05593400000004)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-(1-hydroxyindol-3-yl)-N-sulfooxyethanimidothioate

C16H20N2O10S2 (464.05593400000004)

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(5-hydroxy-1H-indol-3-yl)-N-sulfooxyethanimidothioate

C16H20N2O10S2 (464.05593400000004)

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

[(z)-[2-(4-hydroxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C16H20N2O10S2 (464.05593400000004)

5,7,13,15-tetrachloro-6,14-dihydroxy-4,12-dipropyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one

C19H16Cl4O5 (463.9751806)

[(e)-[2-(5-hydroxy-1h-indol-3-yl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

C16H20N2O10S2 (464.05593400000004)

6,7,14-trihydroxy-13-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

C20H16O13 (464.0590886)

2-bromo-1,6,8-trihydroxy-7-(1-hydroxyhexyl)-3-methoxyanthracene-9,10-dione

C21H21BrO7 (464.0470576)