Spectrum Details
MiMe ID:MMDBc0005055
Compound Name:Phycomysterol A
Derivative IUPAC Name:{[(1R,3aR,7S,11aR)-11a-methyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}trimethylsilane
Derivative SMILES:C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C)CCC4=C3CC[C@@]21C)C(C)C
Derivative InChIKey:InChIKey=OESVQBSQCPBIAJ-FABYFJBPSA-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:C27H40O
Molecular Weight (Monoisotopic Mass):380.3079 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 file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References