Spectrum Details
FooDB ID:FDB009395
Compound name:Ethyl isothiocyanate
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Negative
Splash Key:splash10-0a4r-9000000000-96a9d62f794f8635c88b
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:C3H5NS
Molecular Weight (Monoisotopic Mass):87.0143 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file53 Bytes
Peak assignments (TSV)Download file81 Bytes
mzML formatted file (MZML)Download file4.06 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 ]