Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0031922)
Spectrum Details
| MiMe ID: | MMDBc0031922 |
|---|---|
| Compound Name: | 2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate |
| Derivative IUPAC Name: | trimethylsilyl (2R,5Z)-5-[2-({bis[(trimethylsilyl)oxy]phosphoryl}oxy)ethylidene]-4-methyl-2,5-dihydro-1,3-thiazole-2-carboxylate |
| Derivative SMILES: | CC1=N[C@@H](C(=O)O[Si](C)(C)C)S/C1=C\COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=MVEXYLGMMMDCDK-QKXCFHHRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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_3_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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References