Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0005320)
Spectrum Details
| MiMe ID: | MMDBc0005320 |
|---|---|
| Compound Name: | 10-Phenyl-[12]-cytochalasins Z16 |
| Derivative IUPAC Name: | (10aS,11S,13S,13aS,14S,16aR)-14-benzyl-11,16-dihydroxy-5,7,13-trimethyl-12-methylidene-6-[(trimethylsilyl)oxy]-2H,3H,8H,10aH,11H,12H,13H,13aH,14H-oxacyclododeca[3,2-d]isoindol-2-one |
| Derivative SMILES: | C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@@]23OC(=O)C/C=C(/C)C(O[Si](C)(C)C)=C(C)C/C=C/[C@H]3[C@@H]1O |
| Derivative InChIKey: | InChIKey=LJHCMWBYMIVUNX-KWLMUGBRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C28H33NO5 |
| Molecular Weight (Monoisotopic Mass): | 463.2359 Da |
| Derivative Type: | TMS_1_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 | 776 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References