Exact Mass: 704.3689

Exact Mass Matches: 704.3689

Found 38 metabolites which its exact mass value is equals to given mass value 704.3689, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

PGP(a-13:0/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(10-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C31H62O13P2 (704.3665)


PGP(a-13:0/i-12:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(a-13:0/i-12:0), in particular, consists of one chain of anteisotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.

   

PGP(i-12:0/a-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(10-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C31H62O13P2 (704.3665)


PGP(i-12:0/a-13:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-12:0/a-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of anteisotridecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.

   

PGP(i-12:0/i-13:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-2-[(11-methyldodecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C31H62O13P2 (704.3665)


PGP(i-12:0/i-13:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-12:0/i-13:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isotridecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.

   

PGP(i-13:0/i-12:0)

[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphoryl}oxy)propoxy]phosphonic acid

C31H62O13P2 (704.3665)


PGP(i-13:0/i-12:0) is a phosphatidylglycerophosphate (PGP). It is a glycerophospholipid in which a phosphoglycerol moiety occupies a glycerol substitution site followed by another phosphate moiety. Phosphatidylglycerolphosphate is present at a level of 1-2\\% in most animal tissues, but it can be the second most abundant phospholipid in lung surfactant (up to 11\\% of the total). It is well established that the concentration of phosphatidylglycerolphosphate increases during fetal development. Phosphatidylglycerolphosphate may be present in animal tissues merely as a precursor for cardiolipin synthesis. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PGP(i-13:0/i-12:0), in particular, consists of one chain of isotridecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. They are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to phosphatidylglycerols (PGs). While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes.

   

Exophillic acid

Exophillic acid

C38H56O12 (704.3772)


   
   

Fumonisin Py2

Fumonisin Py2

C34H56O15 (704.3619)


CONFIDENCE isolated standard

   

butyl 3-O-acetyl-2-O-butanoyl-3,4,4-tri(O-2-methylpropanoyl)neohesperidoside

butyl 3-O-acetyl-2-O-butanoyl-3,4,4-tri(O-2-methylpropanoyl)neohesperidoside

C34H56O15 (704.3619)


   

datiscoside B

datiscoside B

C38H56O12 (704.3772)


   

cucurbitacin E glucoside

cucurbitacin E glucoside

C38H56O12 (704.3772)


   

cyclo{-(betaS)-Nalpha-(N,N-dimethyl-L-tryptophyl-L-prolyl)-beta-oxy-L-phenylalanyl-L-leucyl-psi[NH-CH=CH-(4,1-phenylene)]-}|hemsine C

cyclo{-(betaS)-Nalpha-(N,N-dimethyl-L-tryptophyl-L-prolyl)-beta-oxy-L-phenylalanyl-L-leucyl-psi[NH-CH=CH-(4,1-phenylene)]-}|hemsine C

C41H48N6O5 (704.3686)


   

Butyl 3-O-acetyl-2-O-butanoyl-4,6,4-tri-O-(2-methylpropanoyl)-neohesperidoside

Butyl 3-O-acetyl-2-O-butanoyl-4,6,4-tri-O-(2-methylpropanoyl)-neohesperidoside

C34H56O15 (704.3619)


   

N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

[1-propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

[1-propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate

C34H56O15 (704.3619)


   

[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C38H57O10P (704.3689)


   

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

[1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropan-2-yl] (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate

C38H57O10P (704.3689)


   

PGP(a-13:0/i-12:0)

PGP(a-13:0/i-12:0)

C31H62O13P2 (704.3665)


   
   

PA 22:5/13:4;O2

PA 22:5/13:4;O2

C38H57O10P (704.3689)


   

PA 22:6/13:3;O2

PA 22:6/13:3;O2

C38H57O10P (704.3689)


   
   
   

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C38H56O12 (704.3772)


   

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

C38H56O12 (704.3772)


   

n-[(3s,7s,10e)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

n-[(3s,7s,10e)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

C41H48N6O5 (704.3686)


   

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

C38H56O12 (704.3772)


   

9-formyl-2-({[6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

9-formyl-2-({[6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

C38H56O12 (704.3772)


   

(2r,3r,4r,5s,6s)-4-(acetyloxy)-2-{[(2r,3r,4s,5s,6r)-2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl]oxy}-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate

(2r,3r,4r,5s,6s)-4-(acetyloxy)-2-{[(2r,3r,4s,5s,6r)-2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl]oxy}-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate

C34H56O15 (704.3619)


   

4-(acetyloxy)-2-({2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl}oxy)-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate

4-(acetyloxy)-2-({2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl}oxy)-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-3-yl butanoate

C34H56O15 (704.3619)


   

(1r,2s,4r,5r,8r,9s,11r)-9-formyl-2-({[(2s,5r,6r,7r,9r,10r)-6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

(1r,2s,4r,5r,8r,9s,11r)-9-formyl-2-({[(2s,5r,6r,7r,9r,10r)-6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

C38H56O12 (704.3772)


   

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

C38H56O12 (704.3772)


   

(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r,4e)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r,4e)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

C38H56O12 (704.3772)


   

n-[5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

n-[5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

C41H48N6O5 (704.3686)


   

(2s)-n-[(3s,4s,7s,10z)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[(2s)-2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

(2s)-n-[(3s,4s,7s,10z)-5,8-dihydroxy-7-(2-methylpropyl)-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),5,8,10,12,15-hexaen-4-yl]-1-[(2s)-2-(dimethylamino)-3-(1h-indol-3-yl)propanoyl]pyrrolidine-2-carboximidic acid

C41H48N6O5 (704.3686)


   

2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

C38H56O12 (704.3772)