Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (PHUB001212)
Spectrum Details
| PHUB ID: | PHUB001212 |
|---|---|
| Compound Name: | Isoferulic acid-3'-sulfate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC=C(/C=C/C(=O)O[Si](C)(C)C)C=C1OS(=O)(=O)O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive |
| Splash Key: | splash10-00gi-6194000000-ff48317daa64aa6eb3c8 |
| 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: | C13H18O7SSi |
| Molecular Weight (Monoisotopic Mass): | 346.054 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC=C(/C=C/C(=O)O[Si](C)(C)C)C=C1OS(=O)(=O)O)
Documentation
Not Available
References
Not Available