Spectrum Details
CDB ID:CDB000144
Compound Name:Myoinositol
Derivative IUPAC Name:(1R,2S,3S,4S,5S,6S)-5,6-bis[(trimethylsilyl)oxy]cyclohexane-1,2,3,4-tetrol
Derivative SMILES:C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:InChIKey=NRUFWPWSIARQDF-UQPICLANSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[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 file741 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available