Spectrum Details
MiMe ID:MMDBc0000714
Compound name:4-Allylphenol sulfate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-00ls-9000000000-f25eddd5f8e4562b37bf
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:C9H10O4S
Molecular Weight (Monoisotopic Mass):214.03 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file155 Bytes
Peak assignments (TSV)Download file275 Bytes
mzML formatted file (MZML)Download file4.21 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 ]