Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive (CDB005034)
Spectrum Details
| CDB ID: | CDB005034 |
|---|---|
| Compound Name: | UDP-L-arabinose |
| Derivative IUPAC Name: | [({[(2R,3S,4R,5R)-5-[2,4-dioxo-3-(trimethylsilyl)-1,2,3,4-tetrahydropyrimidin-1-yl]-4-hydroxy-3-[(trimethylsilyl)oxy]oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy})phosphinic acid |
| Derivative SMILES: | C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O |
| Derivative InChIKey: | InChIKey=VFPIUBOECFMUDG-WTSJTVGESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 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: | C14H22N2O16P2 |
| Molecular Weight (Monoisotopic Mass): | 536.0445 Da |
| Derivative Type: | TMS_2_7 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(=O)N([Si](C)(C)C)C2=O)[C@@H]1O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 755 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available