Spectrum Details
MiMe ID:MMDBc0054705
Compound name:(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0aca-0900000000-f343c07268304198c251
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:40 eV
Instrument Type:QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution:0.0001 Da
Molecular Formula:C9H9Cl2N
Molecular Weight (Monoisotopic Mass):201.0112 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.09 KB
Peak assignments (TSV)Download file2.77 KB
mzML formatted file (MZML)Download file5.47 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 ]