Spectrum Details
CDB ID:CDB006171
Compound Name:Glucaric acid
Derivative IUPAC Name:1,6-bis(tert-butyldimethylsilyl) (2S,3S,4S,5R)-2,4-bis[(tert-butyldimethylsilyl)oxy]-3,5-dihydroxyhexanedioate
Derivative SMILES:CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=KDFCVGGQYMJGCY-KIHHCIJBSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_14) - 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:C6H10O8
Molecular Weight (Monoisotopic Mass):210.0376 Da
Derivative Type:TBDMS_4_14
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available