Predicted GC-MS Spectrum - GC-MS (TMS_3_2) - 70eV, Positive (MMDBc0010378)
Spectrum Details
| MiMe ID: | MMDBc0010378 |
|---|---|
| Compound Name: | Reveromycin H |
| Derivative IUPAC Name: | (2E,4S,5S,6E,8E)-10-[(2R,3S,6S,8S,9R)-9-butyl-3-methyl-8-[(1E,3E)-3-methyl-5-oxo-5-[(trimethylsilyl)oxy]penta-1,3-dien-1-yl]-9-{[(2E)-4-oxo-4-[(trimethylsilyl)oxy]but-2-enoyl]oxy}-1,7-dioxaspiro[5.5]undecan-2-yl]-4,8-dimethyl-5-[(trimethylsilyl)oxy]deca-2,6,8-trienoic acid |
| Derivative SMILES: | CCCC[C@@]1(OC(=O)/C=C/C(=O)O[Si](C)(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O[Si](C)(C)C)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=YKKMZZJNUMWEJA-JXHKMJAASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C36H50O11 |
| Molecular Weight (Monoisotopic Mass): | 658.3353 Da |
| Derivative Type: | TMS_3_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