Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive (MMDBc0050862)
Spectrum Details
| MiMe ID: | MMDBc0050862 |
|---|---|
| Compound Name: | 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate |
| Derivative IUPAC Name: | {[(2R,3R,4Z)-2,3,4-trihydroxy-5-[(trimethylsilyl)(2-{[(trimethylsilyl)oxy]carbonyl}phenyl)amino]pent-4-en-1-yl]oxy}phosphonic acid |
| Derivative SMILES: | C[Si](C)(C)OC(=O)C1=CC=CC=C1N(/C=C(\O)[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=XHWCDVKCJUTHFR-ZMGFTNJLSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C12H16NO9P |
| Molecular Weight (Monoisotopic Mass): | 349.0563 Da |
| Derivative Type: | TMS_2_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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References