Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.05

ID from inputMass (m/z)Metabolite_NameCompound_IDFormulaCompound MW (Da)AdductAdduct typeAdduct MW (Da)Delta (ppm)InChI IdentifierPredicted LogP (ALOGPS)
mz_00001175.01
"2-{[5,6-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3-(sulfooxy)butanedioic acid"HMDB0149376C19H16O14S500.026076369M+2H+Na+175.0099490NONEDATANONEDATA
"2-({5,6-dihydroxy-4-oxo-3-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3-hydroxybutanedioic acid"HMDB0149375C19H16O14S500.026076369M+2H+Na+175.0099490NONEDATANONEDATA
"2-hydroxy-3-({5-hydroxy-3-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)butanedioic acid"HMDB0149391C19H16O14S500.026076369M+2H+Na+175.0099490NONEDATANONEDATA
"2-{[3-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3-(sulfooxy)butanedioic acid"HMDB0149392C19H16O14S500.026076369M+2H+Na+175.0099490NONEDATANONEDATA
"2-({5,8-dihydroxy-4-oxo-3-[4-(sulfooxy)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3-hydroxybutanedioic acid"HMDB0149418C19H16O14S500.026076369M+2H+Na+175.0099490NONEDATANONEDATA
mz_00002238.19
"(4Z,7Z)-Deca-4,7-dien-1-ol"HMDB0163116C10H18O154.1357652M+IsoProp+Na+H+238.1908754NONEDATANONEDATA
CTK8I1689HMDB0187564C10H18O154.1357652M+IsoProp+Na+H+238.1908754NONEDATANONEDATA
(S)-alpha-TerpineolHMDB0004043C10H18O154.135765198M+IsoProp+Na+H+238.1908754NONEDATANONEDATA
(S)-alpha-TerpineolHMDB0036086C10H18O154.135765198M+IsoProp+Na+H+238.1908754NONEDATANONEDATA
EucalyptolHMDB0004472C10H18O154.1357652M+IsoProp+Na+H+238.1908754NONEDATANONEDATA
mz_00003420.16
N-Desmethyl-O-hydroxy rosiglitazoneHMDB0060836C17H17N3O4S359.093976737M+IsoProp+H+420.1593172NONEDATANONEDATA
N-Desmethyl-p-hydroxyrosiglitazoneHMDB0060838C17H17N3O4S359.093976737M+IsoProp+H+420.1593172NONEDATANONEDATA
"6-[(5-carboxy-3-methylpentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"HMDB0160148C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NONEDATANONEDATA
"6-[(5-carboxy-4-methylpentanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"HMDB0160149C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NONEDATANONEDATA
"6-{[2-(acetyloxy)-3-methylbutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid"HMDB0165020C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NONEDATANONEDATA
mz_00004780.32
"3,4,5-trihydroxy-6-{[4-(methoxymethyl)-7-methyl-5H,6H,7H-cyclopenta[c]pyridin-5-yl]oxy}oxane-2-carboxylic acid"HMDB0162081C17H23NO8369.1423667052M+ACN+H+780.3185562NONEDATANONEDATA
"N-[(4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid"HMDB0031947C17H23NO8369.1423667172M+ACN+H+780.3185562NONEDATANONEDATA
"3,4,5-trihydroxy-6-{[4-(methoxymethyl)-7-methyl-5H,6H,7H-cyclopenta[c]pyridin-7-yl]oxy}oxane-2-carboxylic acid"HMDB0162078C17H23NO8369.1423667052M+ACN+H+780.3185562NONEDATANONEDATA
"3,4,5-trihydroxy-6-{[4-(methoxymethyl)-5H,6H,7H-cyclopenta[c]pyridin-7-yl]methoxy}oxane-2-carboxylic acid"HMDB0162083C17H23NO8369.1423667052M+ACN+H+780.3185562NONEDATANONEDATA
"3,4,5-trihydroxy-6-[(9-hydroxy-16,17-dimethoxy-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,⁶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-3-yl)oxy]oxane-2-carboxylic acid"HMDB0150342C33H44O16696.262935337M+IsoProp+Na+H+780.3180453NONEDATANONEDATA
mz_00005956.25
"2-{2,3,6-trihydroxy-5-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-4-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,5-dien-1-yl}-2-{2,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyl]-6-oxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-1,4-dien-1-yl}acetic acid"HMDB0041300C44H44O24956.222252336M+NH4-H2O+956.2449525NONEDATANONEDATA
"3,4,5-trihydroxy-6-[2-(2-hydroxy-1-oxo-1H-phenalen-9-yl)phenoxy]oxane-2-carboxylic acid"HMDB0168193C25H20O9464.1107322242M+2H+3H2O+956.2445846NONEDATANONEDATA
"6-[4-(2,3-dioxo-2,3-dihydro-1H-phenalen-4-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"HMDB0168231C25H20O9464.1107322242M+2H+3H2O+956.2445846NONEDATANONEDATA
"5-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-3-carbaldehyde"HMDB0138858C25H20O9464.1107322242M+2H+3H2O+956.2445846NONEDATANONEDATA
"6-[(2,3-dioxo-4-phenyl-2,3-dihydro-1H-phenalen-1-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid"HMDB0168237C25H20O9464.1107322242M+2H+3H2O+956.2445846NONEDATANONEDATA
mz_000061100.45
NpcHMDB0060499C28H30N4O6518.2165347122M+ACN+Na+1100.4488341NONEDATANONEDATA
"4-[(2S,15R)-3,9-dihydroxy-2-(hydroxymethyl)-15-methyl-5-oxo-16-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid"HMDB0158990C24H38O10S518.2185685982M+ACN+Na+1100.4529023NONEDATANONEDATA
"4-[(2S,15R)-3,9-dihydroxy-15-(hydroxymethyl)-2-methyl-5-oxo-16-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid"HMDB0158993C24H38O10S518.2185685982M+ACN+Na+1100.4529023NONEDATANONEDATA
"4-[(2S,15R)-8,9-dihydroxy-2-(hydroxymethyl)-15-methyl-5-oxo-16-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid"HMDB0157972C24H38O10S518.2185685982M+ACN+Na+1100.4529023NONEDATANONEDATA
"4-[(2S,15R)-3,16-dihydroxy-15-(hydroxymethyl)-2-methyl-5-oxo-9-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid"HMDB0158992C24H38O10S518.2185685982M+ACN+Na+1100.4529023NONEDATANONEDATA