Spectrum Details
MiMe ID:MMDBc0018520
Compound Name:Tramspiroin A
Derivative IUPAC Name:(3S,3aR,4'R,6S,7R,7aS)-3,3',6-trimethyl-4'-[(trimethylsilyl)oxy]-3,3a,4,5,6,7a-hexahydro-2H-spiro[1-benzofuran-7,1'-cyclopentan]-2'-en-2-one
Derivative SMILES:CC1=C[C@@]2(C[C@H]1O[Si](C)(C)C)[C@@H](C)CC[C@@H]1[C@H](C)C(=O)O[C@@H]12
Derivative InChIKey:InChIKey=CXTUPOGXVBBOTJ-POOLDIJYSA-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:C15H22O3
Molecular Weight (Monoisotopic Mass):250.1569 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