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)DeltaInChI IdentifierPredicted LogP (ALOGPS)
mz_00001175.01
UNKNOWNHMDB0149376C19H16O14S500.026076369M+2H+Na+175.0099490NANA
UNKNOWNHMDB0149375C19H16O14S500.026076369M+2H+Na+175.0099490NANA
UNKNOWNHMDB0149391C19H16O14S500.026076369M+2H+Na+175.0099490NANA
UNKNOWNHMDB0149392C19H16O14S500.026076369M+2H+Na+175.0099490NANA
UNKNOWNHMDB0149418C19H16O14S500.026076369M+2H+Na+175.0099490NANA
mz_00002238.19
UNKNOWNHMDB0163116C10H18O154.1357652M+IsoProp+Na+H+238.1908754NANA
UNKNOWNHMDB0187564C10H18O154.1357652M+IsoProp+Na+H+238.1908754NANA
Alpha-TerpineolHMDB0004043C10H18O154.135765198M+IsoProp+Na+H+238.1908754InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s13.17
(S)-alpha-TerpineolHMDB0036086C10H18O154.135765198M+IsoProp+Na+H+238.1908754InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s13.17
EucalyptolHMDB0004472C10H18O154.1357652M+IsoProp+Na+H+238.1908754InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H33.36
mz_00003420.16
N-Desmethyl-O-hydroxy rosiglitazoneHMDB0060836C17H17N3O4S359.093976737M+IsoProp+H+420.1593172InChI=1S/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23)2.33
N-Desmethyl-p-hydroxyrosiglitazoneHMDB0060838C17H17N3O4S359.093976737M+IsoProp+H+420.1593172InChI=1S/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)2.31
UNKNOWNHMDB0160148C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NANA
UNKNOWNHMDB0160149C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NANA
UNKNOWNHMDB0165020C13H20O10336.105646844M+IsoProp+Na+H+420.1607572NANA
mz_00004780.32
UNKNOWNHMDB0162081C17H23NO8369.1423667052M+ACN+H+780.3185562NANA
Niazicinin AHMDB0031947C17H23NO8369.1423667172M+ACN+H+780.3185562InChI=1S/C17H23NO8/c1-9-15(25-10(2)19)13(20)14(21)16(24-9)26-12-6-4-11(5-7-12)8-18-17(22)23-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,22)0.57
UNKNOWNHMDB0162078C17H23NO8369.1423667052M+ACN+H+780.3185562NANA
UNKNOWNHMDB0162083C17H23NO8369.1423667052M+ACN+H+780.3185562NANA
UNKNOWNHMDB0150342C33H44O16696.262935337M+IsoProp+Na+H+780.3180453NANA
mz_00005956.25
PREHMDB0041300C44H44O24956.222252336M+NH4-H2O+956.2449525InChI=1S/C44H44O24/c45-13-21-28(51)32(55)34(57)40(67-21)43(65)36(59)23(19(49)11-5-15-1-7-17(47)8-2-15)30(53)26(38(43)61)25(42(63)64)27-31(54)24(20(50)12-6-16-3-9-18(48)10-4-16)37(60)44(66,39(27)62)41-35(58)33(56)29(52)22(14-46)68-41/h1-12,21-22,25,28-29,32-35,40-41,45-48,51-53,55-58,60-62,65-66H,13-14H2,(H,63,64)/b11-5-,12-6--0.41
UNKNOWNHMDB0168193C25H20O9464.1107322242M+2H+3H2O+956.2445846NANA
UNKNOWNHMDB0168231C25H20O9464.1107322242M+2H+3H2O+956.2445846NANA
UNKNOWNHMDB0138858C25H20O9464.1107322242M+2H+3H2O+956.2445846NANA
UNKNOWNHMDB0168237C25H20O9464.1107322242M+2H+3H2O+956.2445846NANA
mz_000061100.45
NPCHMDB0060499C28H30N4O6518.2165347122M+ACN+Na+1100.4488341InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s12.40
UNKNOWNHMDB0158990C24H38O10S518.2185685982M+ACN+Na+1100.4529023NANA
UNKNOWNHMDB0158993C24H38O10S518.2185685982M+ACN+Na+1100.4529023NANA
UNKNOWNHMDB0157972C24H38O10S518.2185685982M+ACN+Na+1100.4529023NANA
UNKNOWNHMDB0158992C24H38O10S518.2185685982M+ACN+Na+1100.4529023NANA