Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive (MMDBc0014987)
Spectrum Details
| MiMe ID: | MMDBc0014987 |
|---|---|
| Compound Name: | Phomalide |
| Derivative IUPAC Name: | (3S,6E,9S,12R,15S)-3-benzyl-6-ethylidene-8-hydroxy-12,15-bis(2-methylpropyl)-9-(propan-2-yl)-11,14-bis[(trimethylsilyl)oxy]-1,4-dioxa-7,10,13-triazacyclopentadeca-7,10,13-triene-2,5-dione |
| Derivative SMILES: | C/C=C1/N=C(O)[C@H](C(C)C)N=C(O[Si](C)(C)C)[C@@H](CC(C)C)N=C(O[Si](C)(C)C)[C@H](CC(C)C)OC(=O)[C@H](CC2=CC=CC=C2)OC1=O |
| Derivative InChIKey: | InChIKey=OGQDGMOMFDYJBD-KFAXXGHJSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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: | C30H43N3O7 |
| Molecular Weight (Monoisotopic Mass): | 557.3101 Da |
| Derivative Type: | TMS_2_3 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References