Spectrum Details
MiMe ID:MMDBc0000673
Compound Name:4-O-alpha-D-Galactopyranuronosyl-D-galacturonic acid
Derivative IUPAC Name:3-({6-carboxy-3,4,5-tris[(trimethylsilyl)oxy]oxan-2-yl}oxy)-4,6-dihydroxy-5-[(trimethylsilyl)oxy]oxane-2-carboxylic acid
Derivative SMILES:C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O
Derivative InChIKey:InChIKey=MAIAAIXREMFABH-UHFFFAOYNA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_52) - 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:C12H18O13
Molecular Weight (Monoisotopic Mass):370.0747 Da
Derivative Type:TMS_4_52
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1C(O)OC(C(=O)O)C(OC2OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available