Spectrum Details
T3DB ID:T3D0210
Compound name:1,4-Dioxane
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0006-9000000000-06f5fc3dedd188a15fe9
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:C4H8O2
Molecular Weight (Monoisotopic Mass):88.0524 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file128 Bytes
Peak assignments (TSV)Download file203 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 ]