Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (T3D3092)
Spectrum Details
| T3DB ID: | T3D3092 |
|---|---|
| Compound Name: | Grayanotoxin III |
| Derivative IUPAC Name: | 5,5,9,14-tetramethyl-3,4,14-tris[(trimethylsilyl)oxy]tetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-6,9,16-triol |
| Derivative SMILES: | CC1(O[Si](C)(C)C)CC23CC(O[Si](C)(C)C)C4(O[Si](C)(C)C)C(CC(O)C4(C)C)C(C)(O)C2CCC1C3O |
| Derivative InChIKey: | InChIKey=LQOPSILSCRRHQA-UHFFFAOYNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C20H34O6 |
| Molecular Weight (Monoisotopic Mass): | 370.2355 Da |
| Derivative Type: | TMS_3_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1(O[Si](C)(C)C)CC23CC(O[Si](C)(C)C)C4(O[Si](C)(C)C)C(CC(O)C4(C)C)C(C)(O)C2CCC1C3O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available