Spectrum Details
MiMe ID:MMDBc0029724
Compound Name:Chitobiose
Derivative IUPAC Name:N-[(3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-4,5-bis[(tert-butyldimethylsilyl)oxy]-3-acetamido-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(tert-butyldimethylsilyl)oxy]-2-hydroxy-6-(hydroxymethyl)oxan-3-yl]-N-(tert-butyldimethylsilyl)acetamide
Derivative SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=MMVYIBXGKUWZAT-RBJFUPJWSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_4_66) - 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:C16H28N2O11
Molecular Weight (Monoisotopic Mass):424.1693 Da
Derivative Type:TBDMS_4_66
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](N(C(C)=O)[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available