Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0006086)
Spectrum Details
| MiMe ID: | MMDBc0006086 |
|---|---|
| Compound Name: | Trichalasin E |
| Derivative IUPAC Name: | (5S,6R,10aS,11S,13aS,14S,16aS)-11-hydroperoxy-6-hydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-5,16-bis[(trimethylsilyl)oxy]-2H,5H,6H,7H,8H,10aH,11H,13aH,14H-oxacyclododeca[2,3-d]isoindol-2-one |
| Derivative SMILES: | CC1=C[C@H]2[C@H](OO)C(C)=C(C)[C@H]3[C@H](CC(C)C)N=C(O[Si](C)(C)C)[C@@]23OC(=O)C=C[C@H](O[Si](C)(C)C)[C@H](O)CC1 |
| Derivative InChIKey: | InChIKey=SKBLGNNVSQUQCC-GJZFLOIWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C24H35NO7 |
| Molecular Weight (Monoisotopic Mass): | 449.2414 Da |
| Derivative Type: | TMS_2_1 |
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