Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0009030)
Spectrum Details
| MiMe ID: | MMDBc0009030 |
|---|---|
| Compound Name: | Apicidin F |
| Derivative IUPAC Name: | trimethylsilyl 6-[(3S,6S,9S,15aR)-9-benzyl-1,4-dihydroxy-6-[(1-methoxy-1H-indol-3-yl)methyl]-10-oxo-7-[(trimethylsilyl)oxy]-3H,6H,9H,10H,12H,13H,14H,15H,15aH-pyrido[1,2-a]1,4,7,10-tetraazacyclododecan-3-yl]hexanoate |
| Derivative SMILES: | CON1C=C(C[C@@H]2N=C(O)[C@H](CCCCCC(=O)O[Si](C)(C)C)N=C(O)[C@H]3CCCCN3C(=O)[C@H](CC3=CC=CC=C3)N=C2O[Si](C)(C)C)C2=CC=CC=C21 |
| Derivative InChIKey: | InChIKey=VSUPIYWYIACVBT-PNEDVXDFSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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: | C35H43N5O7 |
| Molecular Weight (Monoisotopic Mass): | 645.3162 Da |
| Derivative Type: | TMS_2_2 |
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