Predicted GC-MS Spectrum - Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0246648)
Spectrum Details
| HMDB ID: | HMDB0246648 |
|---|---|
| Compound Name: | Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC(=O)OC1=CC2=C(C=C1Cl)C(C1=CC=CC=C1C(=O)O[Si](C)(C)C(C)(C)C)C1=CC(Cl)=C(OC(C)=O)C=C1O2 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]- 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: | C24H16Cl2O7 |
| Molecular Weight (Monoisotopic Mass): | 486.0273 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(=O)OC1=CC2=C(C=C1Cl)C(C1=CC=CC=C1C(=O)O[Si](C)(C)C(C)(C)C)C1=CC(Cl)=C(OC(C)=O)C=C1O2)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available