| Spectrum Type | Instrument Type | Technology | Ion Mode | Collision Energy | View |
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| 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]1[C@@H](C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C2[C@@H]1C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | 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(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | 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](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C3)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2) | 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=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)[C@H]2O)=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@H]2OC3=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)[C@H]2O)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[C@@H](O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[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)=C([C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O)C2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2) | 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=C(O)C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@@H]3O)=C2O[C@@H]1C1=CC=C(O)C(O)=C1) | 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)=CC(O)=C3[C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O)=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@H]2OC3=C(C[C@H]2O)C(O)=CC(O)=C3[C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O)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=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)[C@H]2O[Si](C)(C)C)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=CC(O)=CC(O)=C3[C@H](C3=C(O)C=C(O)C4=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)C4)[C@H]2O[Si](C)(C)C)=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)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O[Si](C)(C)C)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | 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](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C3)[C@@H](O[Si](C)(C)C)[C@@H](C1=CC=C(O)C(O)=C1)O2) | 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[C@@H](O)[C@@H](C3=CC=C(O)C(O)=C3)OC2=C1[C@H]1C2=C(O)C=C(O)C=C2O[C@H](C2=CC=C(O)C(O)=C2)[C@@H]1O[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(O)=C([C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O[Si](C)(C)C)C2=C1C[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2) | 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)=CC(O)=C3[C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O[Si](C)(C)C)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)=CC(O)=C3[C@H]2C3=C(O)C=C(O)C=C3O[C@H](C3=CC=C(O)C(O)=C3)[C@@H]2O[Si](C)(C)C)=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=C(O)C([C@H]3C4=C(O)C=C(O)C=C4O[C@H](C4=CC=C(O)C(O)=C4)[C@@H]3O[Si](C)(C)C)=C2O[C@@H]1C1=CC=C(O)C(O)=C1) | 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(C(O[Si](C)(C)C)=C1)[C@H](C1=C(O)C=C(O)C3=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C3)[C@@H](O)[C@@H](C1=CC=C(O)C(O)=C1)O2) | 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@H](C1=CC=C(O[Si](C)(C)C)C(O)=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | 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@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@H](O)[C@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | 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@H](C1=CC=C(O)C(O)=C1)[C@H](O)[C@H]2C1=C(O[Si](C)(C)C)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)[C@H](O)C2) | Positive | Not Available | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | 50V | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | V | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | 10V | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | 20V | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | 30V | View Spectrum | | LC-MS/MS | ESI-TOF | Not Available | Negative | 40V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | 50V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | 10V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | 20V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | 30V | View Spectrum | | LC-MS/MS | ESI-TOF | From Sumner Library | Negative | 40V | View Spectrum | | LC-MS/MS | DI-ESI-qTof | From GNPS Library | Positive | V | View Spectrum | | LC-MS/MS | DI-ESI-qTof | From GNPS Library | Positive | V | View Spectrum | | LC-MS/MS | DI-ESI-qTof | From GNPS Library | Negative | V | View Spectrum | | LC-MS/MS | LC-ESI-QTOF | instrument=UPLC Q-Tof Premier, Waters | negative | V | View Spectrum | | LC-MS/MS | LC-ESI-TOF | instrument=impact HD | negative | V | View Spectrum | | LC-MS/MS | LC-ESI-TOF | instrument=impact HD | negative | V | View Spectrum | | LC-MS/MS | LC-ESI-TOF | instrument=impact HD | negative | V | 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 |
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