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Spectrum Details
YMDB ID:YMDB01415
Compound name:4-Mercapto-4-methylpentan-2-one
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-004l-9000000000-99d12173b922c0f09a40 View in MoNA
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:20 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C6H12OS
Molecular Weight (Monoisotopic Mass):132.0609 Da
Molecular Weight (Avergae Mass):132.224 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 ]