Predicted LC-MS/MS Spectrum - 40V, Positive (M2MDB001512)

Spectrum Details
ECMDB ID:ECMDB21103
Compound name:1,2-Diacyl-sn-glycerol (didodecanoyl, n-C12:0)
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0ab9-0090900000-6e02300046f9f3d0ba35 View in MoNA
Notes:This is a predicted spectrum and it should only be used as a guide, further evidence is required to confirm identification.
Spectrum View
Relative Intensity
20406080100
20406080100050100150200250300350400450
050100150200250300350400450
m/z
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:C27H52O5
Molecular Weight (Monoisotopic Mass):456.3815 Da
Molecular Weight (Avergae Mass):456.6988 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
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.