Spectrum Details
MiMe ID:MMDBc0027838
Compound Name:(+)-1-hydroxyboivinianic acid
Derivative IUPAC Name:4-[(2R)-2-methyl-5-oxooxolan-2-yl]-3-[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:C[C@]1(C2=CC=C(C(=O)O)C=C2O[Si](C)(C)C)CCC(=O)O1
Derivative InChIKey:InChIKey=FJPAPBQBRROVFL-OAHLLOKOSA-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:C12H12O5
Molecular Weight (Monoisotopic Mass):236.0685 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 file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References