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Spectrum Details
HMDB ID:HMDB0041435
Compound Name:Citbismine C
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC2=C(C(O)=C1C1C3=C4C(=C(O)C=C3OC1C(C)(C)O[Si](C)(C)C(C)(C)C)C(=O)C1=CC=C(O)C(OC)=C1N4C)C(=O)C1=CC=C(OC)C(OC)=C1N2C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Citbismine C GC-MS (TBDMS_1_4) - 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:C37H36N2O11
Molecular Weight (Monoisotopic Mass):684.2319 Da
Derivative Type:TBDMS_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC2=C(C(O)=C1C1C3=C4C(=C(O)C=C3OC1C(C)(C)O[Si](C)(C)C(C)(C)C)C(=O)C1=CC=C(O)C(OC)=C1N4C)C(=O)C1=CC=C(OC)C(OC)=C1N2C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available