Exact Mass: 778.3250362
Exact Mass Matches: 778.3250362
Found 41 metabolites which its exact mass value is equals to given mass value 778.3250362,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
O-beta-D-xylopyranosyl-(1->4)-O-<5-O-(trans-feruloyl)-alpha-L-arabinofuranosyl-(1->3)>-O-beta-D-xylopyranosyl-(1->4)-D-xylopyranose
O-beta-D-xylopyranosyl-(1->4)-O-<5-O-(trans-feruloyl)-alpha-L-arabinofuranosyl-(1->3)>-O-beta-D-xylopyranosyl-(1->4)-D-xylopyranose
amoorinin-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
amoorinin-3-O-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
11alpha-acetoxy-5,14,21-trihydroxy-3beta-(tri-O-acetyl-6-deoxy-alpha-L-talopyranosyloxy)-24-nor-5beta,14beta-chol-20(22)t-ene-19,23-dioic acid-19-ethyl ester-23=>21-lactone|11alpha-Acetoxy-5,14,21-trihydroxy-3beta-(tri-O-acetyl-6-desoxy-alpha-L-talopyranosyloxy)-24-nor-5beta,14beta-chol-20(22)t-en-19,23-disaeure-19-aethylester-23=>21-lacton
11alpha-acetoxy-5,14,21-trihydroxy-3beta-(tri-O-acetyl-6-deoxy-alpha-L-talopyranosyloxy)-24-nor-5beta,14beta-chol-20(22)t-ene-19,23-dioic acid-19-ethyl ester-23=>21-lactone|11alpha-Acetoxy-5,14,21-trihydroxy-3beta-(tri-O-acetyl-6-desoxy-alpha-L-talopyranosyloxy)-24-nor-5beta,14beta-chol-20(22)t-en-19,23-disaeure-19-aethylester-23=>21-lacton
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,terephthalic acid
benzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid,terephthalic acid
Upadacitinib hemihydrate
Upadacitinib hemihydrate
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors D018501 - Antirheumatic Agents
GalA(-)beta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaO[CH2]3NH3(+)
GalA(-)beta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaO[CH2]3NH3(+)
C29H50N2O22 (778.2855079999999)
(2S,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-6-(3-aminopropoxy)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
(2S,3R,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4R,5R,6R)-5-acetamido-6-(3-aminopropoxy)-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C29H50N2O22 (778.2855079999999)
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5-benzoyloxy-2,10,10-trimethyl-4-octanoyloxy-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
[(1S,2R,4S,5R,6S,7S,8R,9R,12R)-7,12-diacetyloxy-6-(acetyloxymethyl)-5-benzoyloxy-2,10,10-trimethyl-4-octanoyloxy-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] benzoate
Angiotensin I/II (1-5) (TFA)
Angiotensin I/II (1-5) (TFA)
C32H49F3N8O11 (778.3472720000001)
Angiotensin I/II 1-5 TFA is a peptide that contains the amino acids 1-5, which is converted from Angiotensin I/II. Angiotensin I is formed by the action of renin on angiotensinogen. Angiotensin II is produced from angiotensin I. Angiotensin I/II 1-5 TFA is an active mediator of renin-angiotensin system to stimulate atrial natriuretic peptide (ANP) secretion via Mas R and PI3K-Akt-NOS pathway.[1][2].
Angiotensin I/II (1-5) (TFA)
Angiotensin I/II (1-5) (TFA)
C32H49F3N8O11 (778.3472720000001)
Angiotensin I/II 1-5 TFA is a peptide that contains the amino acids 1-5, which is converted from Angiotensin I/II. Angiotensin I is formed by the action of renin on angiotensinogen. Angiotensin II is produced from angiotensin I. Angiotensin I/II 1-5 TFA is an active mediator of renin-angiotensin system to stimulate atrial natriuretic peptide (ANP) secretion via Mas R and PI3K-Akt-NOS pathway.[1][2].
(1s,4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4s,5r,6s)-5-ethenyl-4-[(2s)-2-hydroxy-2-methoxyethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4s,5r,6s)-5-ethenyl-4-[(2s)-2-hydroxy-2-methoxyethyl]-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
8,9,24,25-tetrahydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
8,9,24,25-tetrahydroxy-4,20-bis(3-hydroxy-2-methylhex-4-en-2-yl)-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
C42H54N2O12 (778.3676564000001)
6-[4-(acetyloxy)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-(propanoyloxy)-hexahydroinden-4-yl 2-hydroxy-3-methylpentanoate
6-[4-(acetyloxy)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-(propanoyloxy)-hexahydroinden-4-yl 2-hydroxy-3-methylpentanoate
(1r,3s,3as,4r,5r,6s)-6-[(2s,3r,4r,5s)-5-(acetyloxy)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-(formyloxy)-3-(furan-3-yl)-1-hydroxy-7-(methoxymethyl)-3a-methyl-1,2,3,4,5,6-hexahydroinden-4-yl 2-hydroxy-3-methylpentanoate
(1r,3s,3as,4r,5r,6s)-6-[(2s,3r,4r,5s)-5-(acetyloxy)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-(formyloxy)-3-(furan-3-yl)-1-hydroxy-7-(methoxymethyl)-3a-methyl-1,2,3,4,5,6-hexahydroinden-4-yl 2-hydroxy-3-methylpentanoate
15,26-dimethyl (2r,6s,13r,22r,23r,24r,35s,38s,39r)-13,24-diethyl-23,32-dihydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,11,15,18,26,29(34),30,32-nonaene-15,26-dicarboxylate
15,26-dimethyl (2r,6s,13r,22r,23r,24r,35s,38s,39r)-13,24-diethyl-23,32-dihydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,11,15,18,26,29(34),30,32-nonaene-15,26-dicarboxylate
(2e)-3-[(2r,3s)-2-(4-{[1-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy}-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2e)-3-[(2r,3s)-2-(4-{[1-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy}-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(4r,6z,8r,9s,10e,12z,20r,22z,24r,25s,26e,28z)-8,9,24,25-tetrahydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
(4r,6z,8r,9s,10e,12z,20r,22z,24r,25s,26e,28z)-8,9,24,25-tetrahydroxy-4,20-bis[(3s,4e)-3-hydroxy-2-methylhex-4-en-2-yl]-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
C42H54N2O12 (778.3676564000001)
(6z,10z,12z,22z,26z,28z)-8,9,24,25-tetrahydroxy-4,20-bis[(4e)-3-hydroxy-2-methylhex-4-en-2-yl]-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
(6z,10z,12z,22z,26z,28z)-8,9,24,25-tetrahydroxy-4,20-bis[(4e)-3-hydroxy-2-methylhex-4-en-2-yl]-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.1¹⁴,¹⁷]tetratriaconta-1(32),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
C42H54N2O12 (778.3676564000001)
16,27-dimethyl 14,25-diethyl-24,32-dihydroxy-31-methoxy-33-oxo-12,22-dioxa-1,9,18,29-tetraazadodecacyclo[23.13.1.1⁶,⁹.0²,²³.0³,²¹.0⁵,¹⁹.0⁶,¹⁷.0¹¹,¹³.0²⁸,³⁶.0³⁰,³⁵.0³⁶,³⁹.0¹⁴,⁴⁰]tetraconta-3,5(19),16,20,27,29,31,34-octaene-16,27-dicarboxylate
16,27-dimethyl 14,25-diethyl-24,32-dihydroxy-31-methoxy-33-oxo-12,22-dioxa-1,9,18,29-tetraazadodecacyclo[23.13.1.1⁶,⁹.0²,²³.0³,²¹.0⁵,¹⁹.0⁶,¹⁷.0¹¹,¹³.0²⁸,³⁶.0³⁰,³⁵.0³⁶,³⁹.0¹⁴,⁴⁰]tetraconta-3,5(19),16,20,27,29,31,34-octaene-16,27-dicarboxylate
15,26-dimethyl (2s,6r,13s,22r,23r,24r,35r,38s,39r)-13,24-diethyl-23,32-dihydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,11,15,18,26,29(34),30,32-nonaene-15,26-dicarboxylate
15,26-dimethyl (2s,6r,13s,22r,23r,24r,35r,38s,39r)-13,24-diethyl-23,32-dihydroxy-30,31-dimethoxy-21-oxa-1,9,17,28-tetraazaundecacyclo[22.13.1.1⁶,⁹.0²,²².0³,²⁰.0⁵,¹⁸.0⁶,¹⁶.0²⁷,³⁵.0²⁹,³⁴.0³⁵,³⁸.0¹³,³⁹]nonatriaconta-3(20),4,11,15,18,26,29(34),30,32-nonaene-15,26-dicarboxylate
4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl 5-ethenyl-4-(2-hydroxy-2-methoxyethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
4-(methoxycarbonyl)-7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl 5-ethenyl-4-(2-hydroxy-2-methoxyethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(2e)-3-[(2r,3s)-2-(4-{[(1r,2s)-1-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy}-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(2e)-3-[(2r,3s)-2-(4-{[(1r,2s)-1-(4-{[(1s,2r)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-1,3-dihydroxypropan-2-yl]oxy}-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
(1r,3s,3ar,4r,5r,6r,7as)-6-[(1s,2r,3r,4s,6s)-4-(acetyloxy)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-(propanoyloxy)-hexahydroinden-4-yl (2r,3r)-2-hydroxy-3-methylpentanoate
(1r,3s,3ar,4r,5r,6r,7as)-6-[(1s,2r,3r,4s,6s)-4-(acetyloxy)-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-(formyloxy)-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-(propanoyloxy)-hexahydroinden-4-yl (2r,3r)-2-hydroxy-3-methylpentanoate