Spectrum Details
T3DB ID:T3D3454
Compound name:2,2,4-Trimethylpentane
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-03di-0900000000-6c2521ef3e59b3971ff7
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:Negative
Collision Energy:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C8H18
Molecular Weight (Monoisotopic Mass):114.1409 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file221 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-11JFN0B)Download file221 Bytes
mzML formatted file (MZML)Download file4.11 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.