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Spectrum Details
HMDB ID:HMDB0037349
Compound Name:Isorhoifolin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Isorhoifolin GC-MS (TMS_1_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:C27H30O14
Molecular Weight (Monoisotopic Mass):578.1636 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC(O[Si](C)(C)C)=C4C(=O)C=C(C5=CC=C(O)C=C5)OC4=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available