Spectrum Details
FooDB ID:FDB019850
Compound name:3-Mercaptohexanol
Spectrum type:Predicted LC-MS/MS Spectrum - 10V, Positive
Splash Key:splash10-0gbi-7900000000-2afdbc2b3cc9185f0e72
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:10 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H14OS
Molecular Weight (Monoisotopic Mass):134.0765 Da
Documentation
Not Available
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 ]