Hmdb loader
Spectrum Details
HMDB ID:HMDB0040682
Compound Name:23-trans-p-Coumaroyloxytormentic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(COC(=O)/C=C/C6=CC=C(O)C=C6)C5CCC43C)C2C1(C)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 23-trans-p-Coumaroyloxytormentic acid GC-MS (TMS_3_1) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C39H54O8
Molecular Weight (Monoisotopic Mass):650.3819 Da
Derivative Type:TMS_3_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CCC2(C(=O)O[Si](C)(C)C)CCC3(C)C(=CCC4C5(C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C)(COC(=O)/C=C/C6=CC=C(O)C=C6)C5CCC43C)C2C1(C)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file763 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available