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Spectrum Details
HMDB ID:HMDB0040155
Compound Name:Paradisin C
Derivative IUPAC Name:Not Available
Derivative SMILES:C/C(=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)CCC1OC2(C=CC3=C(C=C4OC=CC4=C3OC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)O2)OC1(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Paradisin C GC-MS (TMS_2_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:C42H46O11
Molecular Weight (Monoisotopic Mass):726.304 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C/C(=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)CCC1OC2(C=CC3=C(C=C4OC=CC4=C3OC/C=C(\C)CCC(O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)O2)OC1(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available