Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0025339)
Spectrum Details
| MiMe ID: | MMDBc0025339 |
|---|---|
| Compound Name: | Microcolin M |
| Derivative IUPAC Name: | (2S,4S)-1-[(2S)-2-[(2S,3R)-3-(acetyloxy)-N-methyl-2-{[(2S)-4-methyl-2-[(2R,4R)-N,2,4-trimethyloctanamido]-1-[(trimethylsilyl)oxy]pentylidene]amino}butanamido]-3-methylbutanoyl]-4-[(trimethylsilyl)oxy]pyrrolidine-2-carboxylic acid |
| Derivative SMILES: | CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(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)O)C(C)C)[C@@H](C)OC(C)=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ZDTTUMJMOZJAMT-FLRHMMQASA-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: | C34H60N4O9 |
| Molecular Weight (Monoisotopic Mass): | 668.436 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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References