Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0051334)
Spectrum Details
| MiMe ID: | MMDBc0051334 |
|---|---|
| Compound Name: | 2-(2-Carboxy-4-methylthiazol-5-yl)ethyl phosphate |
| Derivative IUPAC Name: | [2-(4-methyl-2-{[(trimethylsilyl)oxy]carbonyl}-1,3-thiazol-5-yl)ethoxy]phosphonic acid |
| Derivative SMILES: | CC1=C(CCOP(=O)(O)O)SC(C(=O)O[Si](C)(C)C)=N1 |
| Derivative InChIKey: | InChIKey=XPLVPJVYIAVZFB-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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 |
|---|---|
| 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: | C7H10NO6PS |
| Molecular Weight (Monoisotopic Mass): | 266.9966 Da |
| Derivative Type: | TMS_1_1 |
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 | 768 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References