Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 70eV, Positive (MMDBc0005573)
Spectrum Details
| MiMe ID: | MMDBc0005573 |
|---|---|
| Compound Name: | Trichoderide A |
| Derivative IUPAC Name: | trimethylsilyl 4-({3-[(3S,6S,9S,14aS)-1,7-dihydroxy-9-methyl-10-oxo-3-(propan-2-yl)-4-[(trimethylsilyl)oxy]-3H,6H,9H,10H,12H,13H,14H,14aH-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-6-yl]propyl}imino)-4-[(trimethylsilyl)oxy]butanoate |
| Derivative SMILES: | CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@H](CCCN=C(CCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)N=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=QWAZJDLXOZSYAD-TTZMFTMZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_9) - 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: | C22H35N5O7 |
| Molecular Weight (Monoisotopic Mass): | 481.2536 Da |
| Derivative Type: | TMS_3_9 |
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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References