Exact Mass: 1272.6536692

Exact Mass Matches: 1272.6536692

Found 23 metabolites which its exact mass value is equals to given mass value 1272.6536692, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Chakasaponin II

(2S,3S,4S,5R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2E)-2-methylbut-2-enoyl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C62H96O27 (1272.6138666)


Chakasaponin ii is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Chakasaponin ii can be found in tea, which makes chakasaponin ii a potential biomarker for the consumption of this food product.

   

Floratheasaponin B

(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis({[(2Z)-2-methylbut-2-enoyl]oxy})-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C62H96O27 (1272.6138666)


Floratheasaponin b is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Floratheasaponin b is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Floratheasaponin b can be found in tea, which makes floratheasaponin b a potential biomarker for the consumption of this food product.

   

Floratheasaponin H

(2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-8,9-bis(acetyloxy)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

C62H96O27 (1272.6138666)


Floratheasaponin h is a member of the class of compounds known as triterpene saponins. Triterpene saponins are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Floratheasaponin h is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Floratheasaponin h can be found in tea, which makes floratheasaponin h a potential biomarker for the consumption of this food product.

   
   
   
   

3beta-O-{[beta-D-glucopyranosyl(1->2)][alpha-L-arabinofuranosyl(1->4)]-beta-D-(3-O-acetyl)glucuronopyranosyl}-21beta-O-[(2Z)-3,7-dimethyl-2,6-octadienoyl]-22alpha-O-benzoyl-R1-barrigenol|symplocososide J

3beta-O-{[beta-D-glucopyranosyl(1->2)][alpha-L-arabinofuranosyl(1->4)]-beta-D-(3-O-acetyl)glucuronopyranosyl}-21beta-O-[(2Z)-3,7-dimethyl-2,6-octadienoyl]-22alpha-O-benzoyl-R1-barrigenol|symplocososide J

C66H96O24 (1272.6291216)


   
   
   

3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-D-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-senecioyl-R1-barrigenol|pittoviridoside

3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-D-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-senecioyl-R1-barrigenol|pittoviridoside

C62H96O27 (1272.6138666)


   
   

3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-angeloyl-R1-barrigenol|saponin IIIC4

3-O-[beta-D-glucopyranosyl(1->2)]-[alpha-L-arabinopyranosyl(1->3)]-[alpha-L-arabinofuranosyl(1->4)]-beta-D-glucuronopyranosyl-21-angeloyl-22-angeloyl-R1-barrigenol|saponin IIIC4

C62H96O27 (1272.6138666)


   

12-O-acetylsarcostin 3-O-beta-L-cymaropyranosyl-(1->4)-beta-D-digitoxopyranosyl-(1->4)-beta-L-cymaropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-alpha-L-diginopyranosyl-(1->4)-beta-D-cymaropyranoside

12-O-acetylsarcostin 3-O-beta-L-cymaropyranosyl-(1->4)-beta-D-digitoxopyranosyl-(1->4)-beta-L-cymaropyranosyl-(1->4)-beta-D-cymaropyranosyl-(1->4)-alpha-L-diginopyranosyl-(1->4)-beta-D-cymaropyranoside

C64H104O25 (1272.6866334000001)


   

(2S)-2-[[2-[[(2S)-1-[(2R)-2-[[(2R)-2-[[2-amino-4,6-dimethyl-3-oxo-9-[[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid

(2S)-2-[[2-[[(2S)-1-[(2R)-2-[[(2R)-2-[[2-amino-4,6-dimethyl-3-oxo-9-[[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]carbamoyl]phenoxazine-1-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid

C62H88N12O17 (1272.6390078)


   

(2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

(2S,3S,4S,5R)-6-[[(3S,4aR,6aR,6bS,7R,8S,8aR,9R,10R,12aS,14aR,14bR)-7,8-dihydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-9,10-bis[[(E)-2-methylbut-2-enoyl]oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid

C62H96O27 (1272.6138666)


   

N-[(2S,3R,4R,5R,6R)-2-[(3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5S,7S,14R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-dien-5-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(2S,3R,4R,5R,6R)-2-[(3R,4S,5R,6S)-5-[(2S,3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-[[(2S,5S,7S,14R,15R)-2,6,6,15-tetramethyl-14-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-18-oxatetracyclo[8.7.1.02,7.011,15]octadeca-1(17),10-dien-5-yl]oxy]oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C61H96N2O26 (1272.6250995999999)


   

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,10Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

C62H91N13O14P+ (1272.6545735999998)


   

[5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,14E)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

[5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,14E)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

C62H91N13O14P+ (1272.6545735999998)


   

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,12S,13S,14E,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,12S,13S,14E,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl] hydrogen phosphate

C62H91N13O14P+ (1272.6545735999998)


   

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,14E)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

[(2R,3S,4R,5S)-5-(5,6-dimethyl-3H-benzimidazol-1-ium-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(5Z,14E)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,7,12,17,23-hexahydrocorrin-3-yl]propanoylamino]propan-2-yl hydrogen phosphate

C62H91N13O14P+ (1272.6545735999998)


   

SEB Domain (152-161) (TFA)

SEB Domain (152-161) (TFA)

C52H91F3N14O19 (1272.6536692)


SEB Domain (152-161) TFA is Staphylococcal Enterotoxin B domain amino acid residue 152-161. Staphylococcal enterotoxin B (SEB) is a toxin produced by Staphylococcus aureus. SEB Domain (152-161) TFA is highly conserved and can inhibit transcytosis of multiple staphylococcal enterotoxins, SEA, SEE, and TSST-1[1][2].