Spectrum Details
T3DB ID:T3D3638
Compound name:Diethyl phthalate
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0092-4900000000-9ae1ef130a13535ace14
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:C12H14O4
Molecular Weight (Monoisotopic Mass):222.0892 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file745 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-96HG6R)Download file745 Bytes
mzML formatted file (MZML)Download file4.59 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.