Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0027262)
Spectrum Details
MiMe ID: | MMDBc0027262 |
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Compound Name: | 3-acetyl-2′-deoxyuridine |
Derivative IUPAC Name: | 3-acetyl-1-[(2R,4S,5R)-4-[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
Derivative SMILES: | CC(=O)N1C(=O)C=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O2)C1=O |
Derivative InChIKey: | InChIKey=GQQKLHXLUWZHIV-SQWLQELKSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 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: | C11H14N2O6 |
Molecular Weight (Monoisotopic Mass): | 270.0852 Da |
Derivative Type: | TMS_2_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 769 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References