Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0025334)
Spectrum Details
| MiMe ID: | MMDBc0025334 |
|---|---|
| Compound Name: | Microcolin F |
| Derivative IUPAC Name: | (1S,2R)-1-{[(2S)-4-methyl-2-[(2R,4R)-N,2,4-trimethyloctanamido]-1-[(trimethylsilyl)oxy]pent-3-en-1-ylidene]amino}-1-{methyl[(2S)-3-methyl-1-[(2S,4S)-2-[(2S)-2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carbonyl]-4-[(trimethylsilyl)oxy]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamoyl}propan-2-yl acetate |
| Derivative SMILES: | CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](C=C(C)C)C(=N[C@H](C(=O)N(C)[C@H](C(=O)N1C[C@@H](O[Si](C)(C)C)C[C@H]1C(=O)N1C(=O)C=C[C@@H]1C)C(C)C)[C@@H](C)OC(C)=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=DNFUZUCZRRSSQT-PJXIIOCMSA-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: | C39H63N5O9 |
| Molecular Weight (Monoisotopic Mass): | 745.4626 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 | 770 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References