Predicted GC-MS Spectrum - GC-MS (TMS_4_12) - 70eV, Positive (MMDBc0001194)
Spectrum Details
| MiMe ID: | MMDBc0001194 |
|---|---|
| Compound Name: | Ustilagic acid C |
| Derivative IUPAC Name: | trimethylsilyl 16-{[(2R,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-4-hydroxy-3,5-bis[(trimethylsilyl)oxy]oxan-2-yl]oxy}-15-hydroxy-2-[(trimethylsilyl)oxy]hexadecanoate |
| Derivative SMILES: | CC(=O)OC[C@H]1O[C@@H](OCC(O)CCCCCCCCCCCCC(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=KLCGXWMNTNBUSM-FSQYPBCOSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_12) - 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: | C24H44O11 |
| Molecular Weight (Monoisotopic Mass): | 508.2884 Da |
| Derivative Type: | TMS_4_12 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References