Spectrum Details
FooDB ID:FDB012168
Compound name:Scopolin
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0006-0901000000-306f58175a4be02dc16d
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:C16H18O9
Molecular Weight (Monoisotopic Mass):354.0951 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file1.54 KB
Peak assignments (TSV)Download file5.24 KB
mzML formatted file (MZML)Download file6.18 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 ]