Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive (PHUB001988)
Spectrum Details
| PHUB ID: | PHUB001988 |
|---|---|
| Compound Name: | 4-hydroxy-5-(3'-methoxyphenyl)valeric acid-4'-sulfate |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(CC(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1OS(=O)(=O)O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive |
| Splash Key: | splash10-00vs-8139200000-b4ec2c224c8e4e396c3e |
| 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: | C18H32O8SSi2 |
| Molecular Weight (Monoisotopic Mass): | 464.136 Da |
| Derivative Type: | 2 TMS |
Notes
Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC(CC(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)=CC=C1OS(=O)(=O)O)
Documentation
Not Available
References
Not Available