Spectrum Details
FooDB ID:FDB007856
Compound name:Allylpropyl sulfide
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-00di-9000000000-19965f09b0f563a94dc5
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:C6H12S
Molecular Weight (Monoisotopic Mass):116.066 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file68 Bytes
Peak assignments (TSV)Download file100 Bytes
mzML formatted file (MZML)Download file4.08 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 ]