Spectrum Details
FooDB ID:FDB009397
Compound name:(+/-)-Ethyl 3-mercapto-2-methylbutanoate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-053r-9000000000-ea99d7d3372e18ab7ed0
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C7H14O2S
Molecular Weight (Monoisotopic Mass):162.0715 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file202 Bytes
Peak assignments (TSV)Download file342 Bytes
mzML formatted file (MZML)Download file4.28 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 ]