Spectrum Details
MiMe ID:MMDBc0018603
Compound Name:Trichodermatide C
Derivative IUPAC Name:(2S,6S)-2-[(1E)-hept-1-en-1-yl]-6-[(trimethylsilyl)oxy]-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-5-one
Derivative SMILES:CCCCC/C=C/[C@@H]1CCC2=C(CC[C@H](O[Si](C)(C)C)C2=O)O1
Derivative InChIKey:InChIKey=VMCPGZWCNSSWFL-ZHDRDSPKSA-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:C16H24O3
Molecular Weight (Monoisotopic Mass):264.1725 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 file771 Bytes
mzML formatted file (MZML)Download file4.63 KB
References