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Spectrum Details
HMDB ID:HMDB0037400
Compound Name:(+)-Catechin 6-C-glucoside
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - (+)-Catechin 6-C-glucoside GC-MS (TMS_5_75) - 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:C21H24O11
Molecular Weight (Monoisotopic Mass):452.1319 Da
Derivative Type:TMS_5_75
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(CC(O[Si](C)(C)C)C(C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1C1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available