Predicted GC-MS Spectrum - GC-MS (TMS_4_5) - 70eV, Positive (MMDBc0031788)
Spectrum Details
| MiMe ID: | MMDBc0031788 |
|---|---|
| Compound Name: | TDP-Fuc4NAc |
| Derivative IUPAC Name: | [5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-[(trimethylsilyl)oxy]oxolan-2-yl]methyl trimethylsilyl [({[(2R,3R,4S,5S,6R)-5-acetamido-3-hydroxy-6-methyl-4-[(trimethylsilyl)oxy]oxan-2-yl]oxy}[(trimethylsilyl)oxy]phosphoryl)oxy]phosphonate |
| Derivative SMILES: | CC(=O)N[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OCC2OC(N3C=C(C)C(=O)NC3=O)CC2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1C |
| Derivative InChIKey: | InChIKey=RECNHECPAIAQAC-XYZCZILLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_5) - 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: | C18H29N3O15P2 |
| Molecular Weight (Monoisotopic Mass): | 589.1074 Da |
| Derivative Type: | TMS_4_5 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References