Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive (MMDBc0016056)
Spectrum Details
| MiMe ID: | MMDBc0016056 |
|---|---|
| Compound Name: | Aspergilol D |
| Derivative IUPAC Name: | 3-methyl-5-{5-methyl-2,3-bis[(trimethylsilyl)oxy]phenoxy}phenyl 2-hydroxy-6-methyl-4-[(trimethylsilyl)oxy]benzoate |
| Derivative SMILES: | CC1=CC(OC(=O)C2=C(C)C=C(O[Si](C)(C)C)C=C2O)=CC(OC2=CC(C)=CC(O[Si](C)(C)C)=C2O[Si](C)(C)C)=C1 |
| Derivative InChIKey: | InChIKey=RLBBJJBUCWZJNM-UHFFFAOYSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C22H20O7 |
| Molecular Weight (Monoisotopic Mass): | 396.1209 Da |
| Derivative Type: | TMS_3_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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References