Predicted GC-MS Spectrum - N-Acetyl-4-O-acetylneuraminic acid GC-MS (TMS_2_4) - 70eV, Positive (HMDB0000796)
Spectrum Details
HMDB ID: | HMDB0000796 |
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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 |
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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 Description | Download | File Size |
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List of m/z values for the spectrum (TXT) | Download file | 749 Bytes |
mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available