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Spectrum Details
HMDB ID:HMDB0030624
Compound Name:Quercetagitrin
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Quercetagitrin GC-MS (TBDMS_3_35) - 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:C21H20O13
Molecular Weight (Monoisotopic Mass):480.0904 Da
Derivative Type:TBDMS_3_35
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file746 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available