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Spectrum Details
T3DB ID:T3D3432
Compound name:2-Methylhexane
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Negative
Splash Key:splash10-0002-9000000000-f7a9bc95109eb334f19e
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H16
Molecular Weight (Monoisotopic Mass):100.1252 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file53 Bytes
Peak assignments (TSV)Download file90 Bytes
mzML formatted file (MZML)Download file4.09 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 ]