Spectrum Details
T3DB ID:T3D0822
Compound name:Pimpinellin
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0002-0190000000-f32c2dab85f9384c8356
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:C13H10O5
Molecular Weight (Monoisotopic Mass):246.0528 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file952 Bytes
Peak assignments (TSV)Download file3.01 KB
mzML formatted file (MZML)Download file5.3 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 ]