Predicted GC-MS Spectrum - GC-MS (TMS_3_15) - 70eV, Positive (MMDBc0054382)
Spectrum Details
MiMe ID: | MMDBc0054382 |
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Compound Name: | CDP-3,6-dideoxy-alpha-D-mannose |
Derivative IUPAC Name: | {[(2R,3S,5S,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}[({[(2R,3R,4R,5R)-3-hydroxy-5-{2-oxo-4-[(trimethylsilyl)amino]-1,2-dihydropyrimidin-1-yl}-4-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphinic acid |
Derivative SMILES: | C[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H](O)C[C@@H]1O |
Derivative InChIKey: | InChIKey=BSUNTYMVCXGPPN-QNXMEKPFSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_15) - 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: | C15H25N3O14P2 |
Molecular Weight (Monoisotopic Mass): | 533.0812 Da |
Derivative Type: | TMS_3_15 |
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 | 773 Bytes |
mzML formatted file (MZML) | Download file | 4.64 KB |
References