Exact Mass: 687.2891

Exact Mass Matches: 687.2891

Found 61 metabolites which its exact mass value is equals to given mass value 687.2891, 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

C36H49NO12 (687.3255)


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.

   

Diastovaricin I

Diastovaricin I

C39H45NO10 (687.3043)


   
   
   

Acetylaconitine

Acetylaconitine

C36H49NO12 (687.3255)


Annotation level-1

   

Desferriferrichrome

Desferriferrichrome

C27H45N9O12 (687.3188)


   

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

C35H45NO13 (687.2891)


   

Tyr Glu Asp Tyr Val

Tyr Glu Asp Tyr Val

C32H41N5O12 (687.2752)


   

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

C27H45N9O12 (687.3188)


   

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]

C27H45N9O12 (687.3188)


   

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

C27H45N9O12 (687.3188)


   
   

Ferrichrome [M-H2+Fe]

Ferrichrome [M-H2+Fe]

C27H45N9O12 (687.3188)


   
   

Ferrichrome [M-3H+Fe+Na]

Ferrichrome [M-3H+Fe+Na]

C27H45N9O12 (687.3188)


   

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

C27H45N9O12 (687.3188)


   

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\\%

C27H45N9O12 (687.3188)


   

YEDYV

Tyr-Glu-Asp-Tyr-Val

C32H41N5O12 (687.2752)


   

Am-Hex-LPE 22:6

N-(1-deoxyfructosyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine

C33H54NO12P (687.3383)


   

N-SUCCINYL-ILE-ILE-TRP 7-AMIDO-4-METHYLCOUMARIN

N-SUCCINYL-ILE-ILE-TRP 7-AMIDO-4-METHYLCOUMARIN

C37H45N5O8 (687.3268)


   

2-Deoxy-5-O-DMT-N6-phenoxyacetyladenosine

2-Deoxy-5-O-DMT-N6-phenoxyacetyladenosine

C39H37N5O7 (687.2693)


   
   

N-Desferriferrichrome

N-Desferriferrichrome

C27H45N9O12 (687.3188)


   

2-Stearoyl-trehalose-2 sulfate

2-Stearoyl-trehalose-2 sulfate

C30H55O15S- (687.3262)


   

Diastovaricins I

Diastovaricins I

C39H45NO10 (687.3043)


   

Rif5 intermediate 2

Rif5 intermediate 2

C35H45NO13 (687.2891)


   

(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

C39H45NO10 (687.3043)


   

O-{N-acetyl-beta-D-glucosaminyl-(1->6)-[beta-D-galactosyl-(1->3)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine

O-{N-acetyl-beta-D-glucosaminyl-(1->6)-[beta-D-galactosyl-(1->3)]-N-acetyl-alpha-D-galactosaminyl}-L-threonine

C26H45N3O18 (687.2698)


   

[(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

C36H49NO12 (687.3255)


   

[(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

C36H49NO12 (687.3255)


   

[(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

C36H49NO12 (687.3255)


   

Hex3Cer 10:1;2O

Hex3Cer 10:1;2O

C28H49NO18 (687.2949)


   

[(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

C36H49NO12 (687.3255)


   

[(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

C36H49NO12 (687.3255)


   

[(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

C36H49NO12 (687.3255)


   
   
   
   
   
   
   
   
   
   
   

ST 28:7;O7;HexNAc

ST 28:7;O7;HexNAc

C36H49NO12 (687.3255)


   

5'-O-DMT-PAC-dA

5'-O-DMT-PAC-dA

C39H37N5O7 (687.2693)


5'-O-DMT-PAC-dA can be used in the synthesis of oligoribonucleotides[1].

   

(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

C36H49NO12 (687.3255)


   

(7z,12z,16z,22z,24z,26z)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

(7z,12z,16z,22z,24z,26z)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

C39H45NO10 (687.3043)


   

(2r,3r,5r,6s,8r,10r,17s)-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,5r,6s,8r,10r,17s)-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

C36H49NO12 (687.3255)


   

(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

(7e,9s,10s,11s,12e,14s,16e,20s,21s,22e,24z,26z)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

C39H45NO10 (687.3043)


   

n-{3-[(2s,14s,17s)-3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]propyl}-n-hydroxyacetamide

n-{3-[(2s,14s,17s)-3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]propyl}-n-hydroxyacetamide

C27H45N9O12 (687.3188)


   

n-{3-[(2r,14s,17s)-3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]propyl}-n-hydroxyacetamide

n-{3-[(2r,14s,17s)-3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl]propyl}-n-hydroxyacetamide

C27H45N9O12 (687.3188)


   

3-[({4-[(2-amino-1-hydroxypropylidene)amino]-7-carbamimidamido-3-hydroxyheptanoyl}oxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

3-[({4-[(2-amino-1-hydroxypropylidene)amino]-7-carbamimidamido-3-hydroxyheptanoyl}oxy)methyl]-7-[(5-amino-5-carboxy-1-hydroxypentylidene)amino]-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C26H41N9O11S (687.2646)


   

(1s,5r,6s,7s,8r,9r,13r,14r,16s)-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

(1s,5r,6s,7s,8r,9r,13r,14r,16s)-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

C36H49NO12 (687.3255)


   

(7e,9s,10s,11s,12z,14s,16z,20s,21s,22z,24z,26e)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

(7e,9s,10s,11s,12z,14s,16z,20s,21s,22z,24z,26e)-4,10,14,20,28,34-hexahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0⁵,³³]tetratriaconta-1(33),2,4,7,12,16,22,24,26,28,30(34)-undecaene-6,18,31,32-tetrone

C39H45NO10 (687.3043)


   

8,14-bis(acetyloxy)-11-formyl-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

8,14-bis(acetyloxy)-11-formyl-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

C35H45NO13 (687.2891)


   

n-(3-{3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-n-hydroxyacetamide

n-(3-{3,6,9,12,15,18-hexahydroxy-14,17-bis[3-(n-hydroxyacetamido)propyl]-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-n-hydroxyacetamide

C27H45N9O12 (687.3188)


   

(1s,2r,3r,4r,5r,6s,7s,8r,9r,10r,13r,14r,16s,17s,18r)-8,14-bis(acetyloxy)-11-formyl-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,7s,8r,9r,10r,13r,14r,16s,17s,18r)-8,14-bis(acetyloxy)-11-formyl-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

C35H45NO13 (687.2891)


   

(2r,3r,4r,5r,6s,8r,10s,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,10s,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

C36H49NO12 (687.3255)


   

(6r,7r)-3-({[(3r,4s)-4-{[(2s)-2-amino-1-hydroxypropylidene]amino}-7-carbamimidamido-3-hydroxyheptanoyl]oxy}methyl)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

(6r,7r)-3-({[(3r,4s)-4-{[(2s)-2-amino-1-hydroxypropylidene]amino}-7-carbamimidamido-3-hydroxyheptanoyl]oxy}methyl)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-7-[(hydroxymethylidene)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C26H41N9O11S (687.2646)