Hmdb loader
Spectrum Details
HMDB ID:HMDB0039124
Compound Name:Crosatoside A
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O[Si](C)(C)C)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Crosatoside A GC-MS (TMS_1_5) - 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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650
050100150200250300350400450500550600650
m/z
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:C28H32O16
Molecular Weight (Monoisotopic Mass):624.169 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=C(O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O[Si](C)(C)C)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available