Spectrum Details
MiMe ID:MMDBc0000124
Compound Name:Gluconic acid
Derivative IUPAC Name:trimethylsilyl (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(trimethylsilyl)oxy]hexanoate
Derivative SMILES:C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=DOKZZADAKRVTRC-CHWFTXMASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 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_2_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available