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Spectrum Details
HMDB ID:HMDB0062702
Compound Name:N,N'-diacetylchitobiose
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](CO[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - N,N'-diacetylchitobiose GC-MS (TMS_5_17) - 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:TMS_5_17
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[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](N(C(C)=O)[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available