Spectrum Details
MiMe ID:MMDBc0014537
Compound Name:Secobotrytriendiol
Derivative IUPAC Name:[(1S)-3-ethenyl-1,4,4-trimethyl-2-[(2E)-1-[(trimethylsilyl)oxy]but-2-en-2-yl]cyclopent-2-en-1-yl]methanol
Derivative SMILES:C=CC1=C(/C(=C\C)CO[Si](C)(C)C)[C@@](C)(CO)CC1(C)C
Derivative InChIKey:InChIKey=FGGHZMSAESOBGL-GIIHOQTISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C15H24O2
Molecular Weight (Monoisotopic Mass):236.1776 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file764 Bytes
mzML formatted file (MZML)Download file4.63 KB
References