Hmdb loader
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Spectrum Details
HMDB ID:HMDB0031866
Compound Name:2-Methyl-4-phenyl-2-butanol
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(CCC1=CC=CC=C1)O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - 2-Methyl-4-phenyl-2-butanol GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-006x-9310000000-a23babc740544f5d587f
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:C14H24OSi
Molecular Weight (Monoisotopic Mass):236.16 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CC(C)(CCC1=CC=CC=C1)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file724 Bytes
Generated list of m/z values for the spectrum (TXT)Download file724 Bytes
mzML formatted file (MZML)Download file4.64 KB
References
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]