Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive (PHUB001664)
Spectrum Details
| PHUB ID: | PHUB001664 |
|---|---|
| Compound Name: | Pigment A |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C(C2=CC=C(O)C=C2)O4)=CC(OC)=C1O |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 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: | C31H29O13 |
| Molecular Weight (Monoisotopic Mass): | 609.1603 Da |
| Derivative Type: | TMS_2_8 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C(C2=CC=C(O)C=C2)O4)=CC(OC)=C1O)
Documentation
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References
Not Available