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Spectrum Details
HMDB ID:HMDB0036440
Compound Name:Fasciculic acid C
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(O)(CC(=O)OC1C(O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CO)CCC(O)C(C)(C)O[Si](C)(C)C)C1(C)C(O)C3)C/C(O)=N/CC(=O)O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - Fasciculic acid C GC-MS (TMS_1_6) - 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:C38H63NO11
Molecular Weight (Monoisotopic Mass):709.4401 Da
Derivative Type:TMS_1_6
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(O)(CC(=O)OC1C(O)CC2(C)C3=C(CCC2C1(C)C)C1(C)CCC(C(CO)CCC(O)C(C)(C)O[Si](C)(C)C)C1(C)C(O)C3)C/C(O)=N/CC(=O)O)
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