Spectrum Details
MiMe ID:MMDBc0055191
Compound Name:1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Derivative IUPAC Name:trimethylsilyl N-[(2R,3R,4R,5R,6R)-2-{[(1S,2R,3R,4S,5S,6R)-3,5-dihydroxy-2,4,6-tris[(trimethylsilyl)oxy]cyclohexyl]oxy}-4,5-bis[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-3-yl]ethanimidate
Derivative SMILES:CC(=N[C@H]1[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=IADLHEKXWADEQG-IMNVDBBNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_7_13) - 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:C14H25NO11
Molecular Weight (Monoisotopic Mass):383.1428 Da
Derivative Type:TMS_7_13
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file776 Bytes
mzML formatted file (MZML)Download file4.64 KB
References