Spectrum Details
MiMe ID:MMDBc0023207
Compound Name:N-demethyl-isomalyngamide I
Derivative IUPAC Name:trimethylsilyl (4E,7S)-N-{3-chloro-2-[(1S,4R,6S)-4-hydroxy-3-methyl-2-[(trimethylsilyl)oxy]-7-oxabicyclo[4.1.0]hept-2-en-1-yl]prop-2-en-1-yl}-7-methoxytetradec-4-enimidate
Derivative SMILES:CCCCCCC[C@@H](C/C=C/CCC(=NCC(=CCl)[C@]12O[C@H]1C[C@@H](O)C(C)=C2O[Si](C)(C)C)O[Si](C)(C)C)OC
Derivative InChIKey:InChIKey=XHGPCRVVPACABY-XFMMJVTKSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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:C25H40ClNO5
Molecular Weight (Monoisotopic Mass):469.2595 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file780 Bytes
mzML formatted file (MZML)Download file4.63 KB
References