Spectrum Details
MiMe ID:MMDBc0015666
Compound Name:Colletoic acid
Derivative IUPAC Name:(1S,4S,5S,9S)-8-methyl-4-(propan-2-yl)-9-[(trimethylsilyl)oxy]spiro[4.5]dec-7-ene-1-carboxylic acid
Derivative SMILES:CC1=CC[C@@]2(C[C@@H]1O[Si](C)(C)C)[C@@H](C(=O)O)CC[C@H]2C(C)C
Derivative InChIKey:InChIKey=NNANVCPSBSDEHN-DFGXFYAUSA-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:C15H24O3
Molecular Weight (Monoisotopic Mass):252.1725 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 file779 Bytes
mzML formatted file (MZML)Download file4.63 KB
References