Hmdb loader
Spectrum Details
HMDB ID:HMDB0061807
Compound name:alpha-Trichloromethylbenzyl acetate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-002r-9830000000-68ef4a758e7e2eacc4a7
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:C10H9Cl3O2
Molecular Weight (Monoisotopic Mass):265.9668 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file488 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-1IDJN13)Download file488 Bytes
mzML formatted file (MZML)Download file4.34 KB
References
  1. Allen F, Greiner R, Wishart D: Competitive fragmentation modeling of ESI-MS/MS spectra for putative metabolite identification. Metabolomics. 2015 11(1):98–110. doi: 10.1007/s11306-014-0676-4.