Spectrum Details
CDB ID:CDB005158
Compound name:(S)-Methylmalonic acid semialdehyde
Spectrum type:Predicted LC-MS/MS Spectrum - 40V, Negative
Splash Key:splash10-0a4i-9000000000-a320f14ddfc09e798938
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:C4H6O3
Molecular Weight (Monoisotopic Mass):102.0317 Da
Documentation
Document DescriptionDownload
List of m/z values for the spectrum (TXT)Download file431 Bytes
Generated list of m/z values for the spectrum (TXT-20190109-20465-10B9VXB)Download file431 Bytes
mzML formatted file (MZML)Download file4.31 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.