Exact Mass: 464.01201180000004

Exact Mass Matches: 464.01201180000004

Found 50 metabolites which its exact mass value is equals to given mass value 464.01201180000004, 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)


   

Perfluorononanoic acid

Perfluorononanoic acid

C9HF17O2 (463.97050899999994)


D004785 - Environmental Pollutants

   

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)

   

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.

   

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

   

6-Brom-isoarboreol|6-Brom-isoarboreol|6-Bromoisoarboreol

6-Brom-isoarboreol|6-Brom-isoarboreol|6-Bromoisoarboreol

C20H17BrO8 (464.0106742)


   

ellagic acid 4-O-beta-D-glucopyranoside

ellagic acid 4-O-beta-D-glucopyranoside

C20H16O13 (464.0590886)


   
   

Perfluorononanoic acid

Perfluorononanoic acid (PFNA)

C9HF17O2 (463.97050899999994)


D004785 - Environmental Pollutants CONFIDENCE standard compound; INTERNAL_ID 5949 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2718

   
   
   
   

Bis(perfluorobutyl)ethene

Trans-1,2-bis(perfluoro-n-butyl)ethylene

C10H2F18 (463.98690679999993)


   

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

C9HF17O2 (463.97050899999994)


   

TETRAKIS(ACETATO)BIS(CYCLOPENTADIENYL)D&

TETRAKIS(ACETATO)BIS(CYCLOPENTADIENYL)D&

C18H18O8V2 (463.9880888)


   

disodium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate

disodium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate

C18H11ClN2Na2O6S (463.9821736)


   

BIS(ISOPROPYLCYCLOPENTADIENYL)HAFNIUM DICHLORIDE

BIS(ISOPROPYLCYCLOPENTADIENYL)HAFNIUM DICHLORIDE

C16H22Cl2Hf (464.05640819999996)


   

Stavudine triphosphate

Stavudine triphosphate

C10H15N2O13P3 (463.978701)


D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides

   

6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4(5H)-one

6-(3,4-Dihydroxybenzyl)-3-ethyl-1-(2,4,6-trichlorophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4(5H)-one

C20H15Cl3N4O3 (464.02096900000004)


   

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

[(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

[(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

[(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)


   

dCTP trianion

dCTP trianion

C9H13N3O13P3-3 (463.9661258)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

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

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

C22H17BrN4O3 (464.04839519999996)


   

3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

C19H11Cl3N4O2S (463.9668276)


   

5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone

5-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-diphenyl-2-sulfanylidene-4-imidazolidinone

C23H17BrN2O2S (464.0194042)


   

[2-[(3,5-Dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate

[2-[(3,5-Dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfonylpropanoate

C17H15Cl3N2O5S (463.97672300000005)


   

2-(3-bromophenyl)-N-({5-nitro-2-furyl}methylene)-4-quinolinecarbohydrazide

2-(3-bromophenyl)-N-({5-nitro-2-furyl}methylene)-4-quinolinecarbohydrazide

C21H13BrN4O4 (464.01201180000004)


   

1-(3-Acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]urea

1-(3-Acetylphenyl)-3-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]urea

C19H15BrClFN4O2 (464.0050872)


   

[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

[2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

C16H16O12S2 (464.0083176)


   

2,2,3,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluoro-3-(trifluoromethyl)octanoic acid

2,2,3,4,4,5,5,6,6,7,7,8,8,8-Tetradecafluoro-3-(trifluoromethyl)octanoic acid

C9HF17O2 (463.97050899999994)


   

Triclosan glucuronide

Triclosan glucuronide

C18H15Cl3O8 (463.983248)


   

Ellagic acid glucoside

Ellagic acid glucoside

C20H16O13 (464.0590886)


   

dCTP(3-)

dCTP(3-)

C9H13N3O13P3 (463.9661258)


A 2-deoxyribonucleoside triphosphate oxoanion that is a trianion of 2-deoxycytidine 5-triphosphate, arising from deprotonation of three of the four triphosphate OH groups.

   
   

[(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

[(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

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

[(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

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

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

C21H21BrO7 (464.0470576)