Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (PHUB002846)
Spectrum Details
| PHUB ID: | PHUB002846 |
|---|---|
| Compound Name: | Phenylacetic acid-3’-sulfate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C[Si](C)(C)OC(=O)CC1=CC=CC(OS(=O)(=O)O)=C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive |
| Splash Key: | splash10-000i-5920000000-37416e86b2740704467a |
| 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: | C11H16O6SSi |
| Molecular Weight (Monoisotopic Mass): | 304.044 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)CC1=CC=CC(OS(=O)(=O)O)=C1)
Documentation
Not Available
References
Not Available