Spectrum Details
MiMe ID:MMDBc0017349
Compound Name:3-Methylorsellinic acid
Derivative IUPAC Name:3,6-dimethyl-2,4-bis[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:CC1=CC(O[Si](C)(C)C)=C(C)C(O[Si](C)(C)C)=C1C(=O)O
Derivative InChIKey:InChIKey=IFHKYUZSDPATCH-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C9H10O4
Molecular Weight (Monoisotopic Mass):182.0579 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References