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Spectrum Details
HMDB ID:HMDB0000186
Compound Name:Alpha-Lactose
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive
Splash Key:splash10-03e9-4897000000-332d470623cd7f1e1ced 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:C12H22O11
Molecular Weight (Monoisotopic Mass):342.1162 Da
Molecular Weight (Avergae Mass):342.2965 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 bmse000065Download file
BMRB NMRstar record bmse000813Download file
BMRB NMRstar record bmse000938Download 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 ]