Spectrum Details
MiMe ID:MMDBc0004823
Compound Name:(+)-(2S,3S,4aS)-altenuene-3-acetoxy ester
Derivative IUPAC Name:(2S,3S,4aS)-2-hydroxy-9-methoxy-4a-methyl-6-oxo-7-[(trimethylsilyl)oxy]-2H,3H,4H,4aH,6H-benzo[c]chromen-3-yl acetate
Derivative SMILES:COC1=CC(O[Si](C)(C)C)=C2C(=O)O[C@@]3(C)C[C@H](OC(C)=O)[C@@H](O)C=C3C2=C1
Derivative InChIKey:InChIKey=DTFIDBFKVWIQFY-KNBMTAEXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C17H18O7
Molecular Weight (Monoisotopic Mass):334.1053 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References