Exact Mass: 687.3254594
Exact Mass Matches: 687.3254594
Found 67 metabolites which its exact mass value is equals to given mass value 687.3254594,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flaconitine
[(1S,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid 3-Acetylaconitine is a natural product found in Aconitum kusnezoffii with data available. Flaconitine is considered to be a NF-κB inhibitor. Flaconitine is considered to be a NF-κB inhibitor.
2-(2-{3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-10-methyl-2,5-dioxo-1,4-diaza-spiro[5.5]undec-8-en-7-yl}-vinyl)-3,6-dihydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde|Aurechinulin
2-(2-{3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-10-methyl-2,5-dioxo-1,4-diaza-spiro[5.5]undec-8-en-7-yl}-vinyl)-3,6-dihydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde|Aurechinulin
2-(2-{3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-11-methyl-2,5-dioxo-1,4-diaza-spiro[5.5]undec-9-en-8-yl}-vinyl)-3,6-dihydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde|Cryptoechinulin B|Kryptoechinulin B
2-(2-{3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-11-methyl-2,5-dioxo-1,4-diaza-spiro[5.5]undec-9-en-8-yl}-vinyl)-3,6-dihydroxy-5-(3-methyl-but-2-enyl)-benzaldehyde|Cryptoechinulin B|Kryptoechinulin B
3-O-acetyl-20-deethyl-20-formylaconitine|brachyaconitine A|rel-(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8-bis(acetyloxy)-14-(benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-2D-carboxaldehyde
3-O-acetyl-20-deethyl-20-formylaconitine|brachyaconitine A|rel-(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-3,8-bis(acetyloxy)-14-(benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-2D-carboxaldehyde
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
NCGC00168874-03!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide]
Ferrichrysin [NCGC00168874-03!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide]
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide_major
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide_major
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide_72.3\\%
N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide_72.3\\%
Am-Hex-LPE 22:6
N-(1-deoxyfructosyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine
4-glutamyl-(S)-2-hydroxy-4-aminobutanoyl-ribostamycin
4-glutamyl-(S)-2-hydroxy-4-aminobutanoyl-ribostamycin
(7E,9S,10S,11S,12E,14R,16E,20S,21S,22Z,24E,26Z)-2,4,10,14,20-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
(7E,9S,10S,11S,12E,14R,16E,20S,21S,22Z,24E,26Z)-2,4,10,14,20-pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1,3,5(33),7,12,16,22,24,26,30-decaene-6,18,28,32,34-pentone
N-(2-aminophenyl)-N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
C38H49N5O7 (687.3631803999999)
N-(2-aminophenyl)-N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
N-(2-aminophenyl)-N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
C38H49N5O7 (687.3631803999999)
6-[2-[(E,3E)-3-(2-tert-butyl-9-ethyl-6,8,8-trimethylpyrano[3,2-g]quinolin-4-ylidene)prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
6-[2-[(E,3E)-3-(2-tert-butyl-9-ethyl-6,8,8-trimethylpyrano[3,2-g]quinolin-4-ylidene)prop-1-enyl]-3,3-dimethyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
C40H51N2O6S+ (687.3467646000001)
[(2R,3R,4R,5R,6S,8R,10S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10S,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(1S,2R,3R,4R,5R,6S,8R,10S,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(1S,2R,3R,4R,5R,6S,8R,10S,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10S,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10S,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(1S,2R,3R,4R,5R,6S,8R,10R,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(1S,2R,3R,4R,5R,6S,8R,10R,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10R,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
[(2R,3R,4R,5R,6S,8R,10R,13R,17S,18R)-8,14-diacetyloxy-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
gamma-L-glutamylbutirosin B(3+)
gamma-L-glutamylbutirosin B(3+)
A primary ammonium ion obtained by protonation of the four amino groups and deprotonation of the carboxy group of gamma-L-glutamylbutirosin B; major species at pH 7.3.
(2r,3r,4r,5r,6s,8r,10r,17s,18r)-8,14-bis(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
(2r,3r,4r,5r,6s,8r,10r,17s,18r)-8,14-bis(acetyloxy)-11-ethyl-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
4,10,14,18,20-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,28,32,34-tetrone
4,10,14,18,20-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,28,32,34-tetrone