| Spectrum Type | Instrument Type | Technology | Ion Mode | Collision Energy | View |
---|
| Predicted GC-MS | GC-MS | Predicted by CFMID-EI, energy0 | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI,
Ionization energy 70 eV fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@H]4O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: Semi standard non polar) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)=CC=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@H]3O)=CC=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O)C5)O2)[C@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@H]1C3=C(O)C=C(O)C=C3O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(C3=C1C[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O3)[C@H]1C3=C(O)C=C(O)C=C3O[C@@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC([C@H]2OC3=C(C[C@H]2O[Si](C)(C)C)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)=CC=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=CC2=C1[C@@H]1C3=C(C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O[Si](C)(C)C)C4)O[C@](C3=CC=C(O)C(O)=C3)(O2)[C@@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC([C@]23OC4=CC(O)=CC(O)=C4[C@H](C4=C(C=C(O)C5=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@H](O[Si](C)(C)C)C5)O2)[C@H]3O)=CC=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1CC2=C(O)C=C3O[C@]4(C5=CC=C(O)C(O)=C5)OC5=CC(O)=CC(O)=C5[C@H](C3=C2O[C@@H]1C1=CC=C(O)C(O)=C1)[C@H]4O[Si](C)(C)C) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O[Si](C)(C)C)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(C=C(O)C=C4O[Si](C)(C)C)O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O)[C@@H](C5=CC=C(O[Si](C)(C)C)C(O)=C5)OC4=C3[C@@H]2[C@H]1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O[Si](C)(C)C)C(O)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O[Si](C)(C)C)=C4)(O2)[C@@H]3O)C=C1O) | Positive | Not Available | View Spectrum | | Predicted GC-MS | GC-MS | Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC=C([C@H]2OC3=C(C[C@H]2O)C(O)=CC2=C3[C@H]3C4=C(O)C=C(O)C=C4O[C@@](C4=CC=C(O)C(O)=C4)(O2)[C@@H]3O[Si](C)(C)C)C=C1O) | Positive | Not Available | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 10V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 20V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Positive | 40V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 10V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 20V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID | Negative | 40V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 10V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 20V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Negative | 40V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 10V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 20V | View Spectrum | | Predicted LC-MS/MS | Not Available | Predicted by CFM-ID 4.0 | Positive | 40V | View Spectrum |
|