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Spectrum Details
T3DB ID:T3D3448
Compound name:2,5-Dimethylhexane
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-052f-9000000000-357523582d0c307929c5
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
Collision Energy:40 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
Generated list of m/z values for the spectrum (TSV)Download file113 Bytes
Peak assignments (TSV)Download file185 Bytes
mzML formatted file (MZML)Download file4.16 KB
References
  1. Wang F, Liigand J, Tian S, Arndt D, Greiner R, and Wishart D. CFM-ID 4.0: More Accurate ESI MS/MS Spectral Prediction and Compound Identification. Analytical Chemistry202193 (34), 11692-11700 DOI: 10.1021/acs.analchem.1c01465 [PubMed: 34403256 ]