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Spectrum Details
HMDB ID:HMDB0033679
Compound Name:Pelargonidin 3-sophoroside
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Pelargonidin 3-sophoroside GC-MS (TMS_2_11) - 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:C28H33O14
Molecular Weight (Monoisotopic Mass):593.187 Da
Derivative Type:TMS_2_11
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@H]1[C@H](O[C@H]2[C@H](OC3=CC4=C(O[Si](C)(C)C)C=C(O)C=C4[O+]=C3C3=CC=C(O)C=C3)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available