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Predicted LC-MS/MS Spectrum - 40V, Negative (M2MDB003881)

Spectrum Details
ECMDB ID:ECMDB23491
Compound name:PE(14:0/14:0(3-OH))
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-004i-9220000000-bf96b6f1557e5be1ff94 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
20406080100050100150200250300350400450500
050100150200250300350400450500
m/z
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:C33H66NO9P
Molecular Weight (Monoisotopic Mass):651.4475 Da
Molecular Weight (Avergae Mass):651.8522 Da
Documentation
Document DescriptionDownload
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.