Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (PHUB000617)
Spectrum Details
| PHUB ID: | PHUB000617 |
|---|---|
| Compound Name: | Homovanillic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(CC(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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: | C9H10O4 |
| Molecular Weight (Monoisotopic Mass): | 182.0579 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(CC(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C)
Documentation
Not Available
References
Not Available