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Spectrum Details
HMDB ID:HMDB0245991
Compound name:3,3-Bis(chloromethyl)oxetane
Spectrum type:Predicted LC-MS/MS Spectrum - 20V, Positive
Splash Key:splash10-0ab9-0900000000-2b48a57c9f47509734b5
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:C5H8Cl2O
Molecular Weight (Monoisotopic Mass):153.9952 Da
Documentation
Document DescriptionDownload
Generated list of m/z values for the spectrum (TSV)Download file167 Bytes
Peak assignments (TSV)Download file329 Bytes
mzML formatted file (MZML)Download file4.22 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 ]