Predicted LC-MS/MS Spectrum - 40V, Positive (YMDB00690)

Spectrum Details
YMDB ID:YMDB00690
Compound name:L-cysteinylglycine
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Positive
Splash Key:splash10-0a6u-9000000000-a8b591f7522fe16637fb 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
204060801000102030405060708090100110120130
0102030405060708090100110120130
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:C5H10N2O3S
Molecular Weight (Monoisotopic Mass):178.0412 Da
Molecular Weight (Avergae Mass):178.21 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.