Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0056041)
Spectrum Details
| MiMe ID: | MMDBc0056041 |
|---|---|
| Compound Name: | iso-precytochalasin |
| Derivative IUPAC Name: | (10aS,13S,13aS,14S,16aR)-14-benzyl-5,7,12,13-tetramethyl-6,16-bis[(trimethylsilyl)oxy]-2H,3H,8H,10aH,13H,13aH,14H-oxacyclododeca[3,2-d]isoindol-2-one |
| Derivative SMILES: | CC1=C[C@@H]2C=CCC(C)=C(O[Si](C)(C)C)/C(C)=C/CC(=O)O[C@]23C(O[Si](C)(C)C)=N[C@@H](CC2=CC=CC=C2)[C@@H]3[C@@H]1C |
| Derivative InChIKey: | InChIKey=INRHKBIDLPAOEF-JFHXGDMESA-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: | C28H33NO4 |
| Molecular Weight (Monoisotopic Mass): | 447.241 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 | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References