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Spectrum Details
HMDB ID:HMDB0000187
Compound Name:L-Serine
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive
Splash Key:splash10-0fkl-9420000000-ed7a327e1f071802a4dd 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:C9H23NO3Si2
Molecular Weight (Monoisotopic Mass):249.122 Da
Molecular Weight (Avergae Mass):249.459 Da
Derivative Type:2 TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC[C@H](N)C(=O)O[Si](C)(C)C)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
BMRB NMRstar record bmse000222Download file
BMRB NMRstar record bmse000048Download file
BMRB NMRstar record bmse000809Download file
BMRB NMRstar record bmse000867Download file
BMRB NMRstar record bmse000885Download 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 ]