Spectrum Details
MiMe ID:MMDBc0017270
Compound Name:Isochromophilone XIII
Derivative IUPAC Name:(7S)-5-chloro-7-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-7-[(trimethylsilyl)oxy]-2-{2-[(trimethylsilyl)oxy]ethyl}-2,6,7,8-tetrahydroisoquinoline-6,8-dione
Derivative SMILES:CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(O[Si](C)(C)C)C(=O)C2=CN1CCO[Si](C)(C)C
Derivative InChIKey:InChIKey=LTESUZYUGCZLJE-PEVZAWCOSA-N
Spectrum Type:Predicted GC-MS Spectrum - 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:C18H22ClNO4
Molecular Weight (Monoisotopic Mass):351.1237 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References