Exact Mass: 705.4452

Exact Mass Matches: 705.4452

Found 29 metabolites which its exact mass value is equals to given mass value 705.4452, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

beta1-Chaconine

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO10 (705.4452)


beta1-Chaconine is found in alcoholic beverages. beta1-Chaconine is an alkaloid from potato species (Solanum chacoense, Solanum commersonii, Solanum crispum, Solanum tuberosum, Solanum ajanhuiri and Solanum stenotomum, Solanaceae Alkaloid from potato subspecies (Solanum chacoense, Solanum commersonii, Solanum crispum, Solanum tuberosum, Solanum ajanhuiri and Solanum stenotomum, Solanaceae). beta1-Chaconine is found in alcoholic beverages and potato.

   

D-Glucoside

9-[2-[Methoxy-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]acetyl]oxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

C39H63NO10 (705.4452)


   

beta-2-Chaconine

2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO10 (705.4452)


Beta-2-chaconine is a member of the class of compounds known as steroidal saponins. Steroidal saponins are saponins in which the aglycone moiety is a steroid. The steroidal aglycone is usually a spirostane, furostane, spirosolane, solanidane, or curcubitacin derivative. Beta-2-chaconine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Beta-2-chaconine can be found in potato, which makes beta-2-chaconine a potential biomarker for the consumption of this food product.

   

beta-Chaconine

solanid-5-en-3beta-yl 3-O-alpha-L-rhamnopyranosyl-(1-2)-beta-D-glucopyranoside

C39H63NO10 (705.4452)


   

Solanidine base + O-Hex-dHex

Solanidine base + O-Hex-dHex

C39H63NO10 (705.4452)


Annotation level-3

   

b1-Chaconine

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-({10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0^{2,11}.0^{5,10}.0^{15,23}.0^{17,22}]tetracos-4-en-7-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO10 (705.4452)


   

Lnape 26:7/N-8:0

Lnape 26:7/N-8:0

C39H64NO8P (705.4369)


   

Lnape 8:0/N-26:7

Lnape 8:0/N-26:7

C39H64NO8P (705.4369)


   

Lnape 16:3/N-18:4

Lnape 16:3/N-18:4

C39H64NO8P (705.4369)


   

Lnape 18:4/N-16:3

Lnape 18:4/N-16:3

C39H64NO8P (705.4369)


   

Lnape 10:0/N-24:7

Lnape 10:0/N-24:7

C39H64NO8P (705.4369)


   

Lnape 24:7/N-10:0

Lnape 24:7/N-10:0

C39H64NO8P (705.4369)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosa-5,8,11,14,17,20,23-heptaenoate

C39H64NO8P (705.4369)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

C39H64NO8P (705.4369)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate

C39H64NO8P (705.4369)


   

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

C39H64NO8P (705.4369)


   

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-[(6E,9E,12E)-pentadeca-6,9,12-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C39H64NO8P (705.4369)


   

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-[(9E,12E)-pentadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

C39H64NO8P (705.4369)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropyl] (9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoate

C39H64NO8P (705.4369)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropyl] (7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropyl] (7E,9E,11E,13E,15E)-octadeca-7,9,11,13,15-pentaenoate

C39H64NO8P (705.4369)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropyl] (11E,13E,15E)-octadeca-11,13,15-trienoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxypropyl] (11E,13E,15E)-octadeca-11,13,15-trienoate

C39H64NO8P (705.4369)


   

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (10E,12E)-octadeca-10,12-dienoate

[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (10E,12E)-octadeca-10,12-dienoate

C39H64NO8P (705.4369)


   

beta1-Chaconine

beta1-Chaconine

C39H63NO10 (705.4452)


   

PC(31:7)

PC(20:4_11:3)

C39H64NO8P (705.4369)


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DGCC 29:6;O2

DGCC 29:6;O2

C39H63NO10 (705.4452)


   

LNAPE 34:7

LNAPE 34:7

C39H64NO8P (705.4369)


   

(1r,3as,5ar,5br,9s,11ar)-9-[(2-{methoxy[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}acetyl)oxy]-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

(1r,3as,5ar,5br,9s,11ar)-9-[(2-{methoxy[(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}acetyl)oxy]-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

C39H63NO10 (705.4452)


   

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16r,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

(2r,3r,4r,5r,6s)-2-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(1s,2s,7s,10r,11s,14s,15r,16r,17r,20s,23s)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-7-yl]oxy}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

C39H63NO10 (705.4452)


   

β-chaconine

β-chaconine

C39H63NO10 (705.4452)