Exact Mass: 448.0512

Exact Mass Matches: 448.0512

Found 31 metabolites which its exact mass value is equals to given mass value 448.0512, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Glucobrassicin

{[(E)-[2-(1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxy}sulfonic acid

C16H20N2O9S2 (448.061)


Constituent of Brassica and Raphanus subspecies, e.g. rape (Brassica napus variety napus) and Brussels sprouts (Brassica oleracea variety gemmifera). Glucobrassicin is found in many foods, some of which are capers, swede, white cabbage, and common cabbage. Glucobrassicin is found in brassicas. Glucobrassicin is a constituent of Brassica and Raphanus species, e.g. rape (Brassica napus var. napus) and Brussels sprouts (Brassica oleracea var. gemmifera)

   
   
   
   

Indolylmethyl glucosinolate

Indolylmethyl glucosinolate

C16H20N2O9S2 (448.061)


Annotation level-3 Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

3-Indolylmethyl glucosinolate

3-Indolylmethyl glucosinolate

C16H20N2O9S2 (448.061)


   

Glucobrassicin

Glucobrassicin

C16H20N2O9S2 (448.061)


An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur.

   

indol-3-Ylmethyl glucosinolate

indol-3-Ylmethyl glucosinolate

C16H20N2O9S2 (448.061)


   

Glucobrassicin (Indol-3-ylmethylglucosinolate)

Glucobrassicin (Indol-3-ylmethylglucosinolate)

C16H20N2O9S2 (448.061)


   
   

(2-Hydroxybenzyl)(triphenyl)phosphonium bromide

(2-Hydroxybenzyl)(triphenyl)phosphonium bromide

C25H22BrOP (448.0592)


   
   

6-(4-chlorophenyl)sulfanyl-5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]pyridine-3-carboxamide

6-(4-chlorophenyl)sulfanyl-5-cyano-N-[[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]carbamoyl]pyridine-3-carboxamide

C19H17ClN4O5S (448.0608)


   

ethyl 6-broMo-5-hydroxy-1-Methyl-2-((phenylthioMethylaMino)Methyl)-1H-indole-3-carboxylate

ethyl 6-broMo-5-hydroxy-1-Methyl-2-((phenylthioMethylaMino)Methyl)-1H-indole-3-carboxylate

C20H21BrN2O3S (448.0456)


   

1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]-2-chloroethanone

1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]-2-chloroethanone

C18H11ClF6N4O (448.0526)


   

[2-(3-Dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid

[2-(3-Dibenzofuran-4-yl-phenyl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid

C20H18O8P2 (448.0477)


   

N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide

N-(2-aminoethyl)-2,4-dichloro-N-{4-[(4-chlorophenyl)methoxy]phenyl}benzamide

C22H19Cl3N2O2 (448.0512)


   

Indolylglucosinolate

Indolylglucosinolate

C16H20N2O9S2 (448.061)


   

N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

N-[3-[(2,6-difluorophenyl)sulfonylamino]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide

C17H18F2N2O6S2 (448.0574)


   

1-(4-Bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester

1-(4-Bromophenyl)-4-[1-naphthalenyl(oxo)methyl]-3-pyrazolecarboxylic acid ethyl ester

C23H17BrN2O3 (448.0422)


   

[8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate

[8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxopyrano[3,2-g]chromen-2-yl]methyl hydrogen sulate

C20H16O10S (448.0464)


   

methyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside

methyl 3-O-(3-O-sulfonato-beta-D-glucopyranosyluronate)-beta-D-galactopyranoside

C13H20O15S-2 (448.0523)


   

[3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate

[3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-methyl-4-oxopyrano[2,3-h]chromen-8-yl]methyl hydrogen sulate

C20H16O10S (448.0464)


   

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

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

C16H20N2O9S2 (448.061)


   

indolylmethylglucosinolate

indolylmethylglucosinolate

C16H20N2O9S2 (448.061)


A glucosinolate that is the conjugate base of indolylmethylglucosinolic acid.

   

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

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

C16H20N2O9S2 (448.061)


   

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

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

C16H20N2O9S2 (448.061)


   
   

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

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

C16H20N2O9S2 (448.061)


   

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

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

C16H20N2O9S2 (448.061)


   

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

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

C16H20N2O9S2 (448.061)