Spectrum Details
MiMe ID:MMDBc0000288
Compound Name:L-Idonic acid
Derivative IUPAC Name:(2R,3S,4R,5S)-2,4-dihydroxy-3,5,6-tris[(trimethylsilyl)oxy]hexanoic acid
Derivative SMILES:C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O
Derivative InChIKey:InChIKey=RONQATMMGNOUGM-DGAVXFQQSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 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:C6H12O7
Molecular Weight (Monoisotopic Mass):196.0583 Da
Derivative Type:TMS_3_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file767 Bytes
mzML formatted file (MZML)Download file4.63 KB
References