Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0013595)
Spectrum Details
| MiMe ID: | MMDBc0013595 |
|---|---|
| Compound Name: | Aflatrem |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | C=CC(C)(C)C1=CC=CC2=C1C1=C(N2[Si](C)(C)C)[C@@]2(C)[C@@H](CC[C@@]3(O[Si](C)(C)C)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@@]32C)OC5(C)C)C1 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C32H39NO4 |
| Molecular Weight (Monoisotopic Mass): | 501.2879 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 782 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References