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Spectrum Details
HMDB ID:HMDB0000796
Compound Name:N-Acetyl-4-O-acetylneuraminic acid
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(=O)N[C@@H]1[C@@H](OC(C)=O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1C(O)C(O)CO[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - N-Acetyl-4-O-acetylneuraminic acid GC-MS (TMS_2_4) - 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:C13H21NO10
Molecular Weight (Monoisotopic Mass):351.1165 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)N[C@@H]1[C@@H](OC(C)=O)C[C@@](O[Si](C)(C)C)(C(=O)O)O[C@H]1C(O)C(O)CO[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available