Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0011573)
Spectrum Details
| MiMe ID: | MMDBc0011573 |
|---|---|
| Compound Name: | Trichalasin F |
| Derivative IUPAC Name: | (4R,5R,10aS,13S,13aS,14S,16aR)-4,5-dihydroxy-9,12,13-trimethyl-14-(2-methylpropyl)-16-[(trimethylsilyl)oxy]-2H,3H,4H,5H,6H,7H,8H,10aH,13H,13aH,14H-oxacyclododeca[2,3-d]isoindol-2-one |
| Derivative SMILES: | CC1=C[C@H]2C=C(C)[C@@H](C)[C@H]3[C@H](CC(C)C)N=C(O[Si](C)(C)C)[C@@]23OC(=O)C[C@@H](O)[C@H](O)CCC1 |
| Derivative InChIKey: | InChIKey=GVICXIWGHQVTIZ-HLBBJUERSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C24H37NO5 |
| Molecular Weight (Monoisotopic Mass): | 419.2672 Da |
| Derivative Type: | TMS_1_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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References