Spectrum Details
CDB ID:CDB000237
Compound Name:beta-D-Glucose
Derivative IUPAC Name:(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-bis[(trimethylsilyl)oxy]oxane-3,4-diol
Derivative SMILES:C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=NSCFJALHUYKYDD-ZIQFBCGOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive
Splash Key:Not Available
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:C6H12O6
Molecular Weight (Monoisotopic Mass):180.0634 Da
Derivative Type:TMS_2_7
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file742 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available