Spectrum Details
MiMe ID:MMDBc0054641
Compound name:picolinal
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-004i-9000000000-62c08b1539eb7eef5f73
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:C6H5NO
Molecular Weight (Monoisotopic Mass):107.0371 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file130 Bytes
Peak assignments (TSV)Download file242 Bytes
mzML formatted file (MZML)Download file4.18 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 ]