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Spectrum Details
HMDB ID:HMDB0039898
Compound Name:Gomphrenin II
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C=C3O[Si](C)(C)C)CC(C(=O)[O-])/[N+]4=C\C=C3\C=C(C(=O)O)NC(C(=O)O)C3)C(O)C(O)C2O)C=C1
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Gomphrenin II GC-MS (TMS_2_14) - 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:C33H32N2O15
Molecular Weight (Monoisotopic Mass):696.1803 Da
Derivative Type:TMS_2_14
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C(/C=C/C(=O)OCC2OC(OC3=CC4=C(C=C3O[Si](C)(C)C)CC(C(=O)[O-])/[N+]4=C\C=C3\C=C(C(=O)O)NC(C(=O)O)C3)C(O)C(O)C2O)C=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file761 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available