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Spectrum Details
HMDB ID:HMDB0000167
Compound Name:L-Threonine
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Splash Key:splash10-00dl-9000000000-a05d200d324c3242c239 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
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C4H9NO3
Molecular Weight (Monoisotopic Mass):119.0582 Da
Molecular Weight (Avergae Mass):119.1192 Da
Notes
Predicted by CFMID-EI, energy0
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000049Download file
BMRB NMRstar record bmse000810Download file
BMRB NMRstar record bmse000859Download file
mzML formatted fileDownload file
References
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]