Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0013838)
Spectrum Details
| MiMe ID: | MMDBc0013838 |
|---|---|
| Compound Name: | Ustilipid E2 |
| Derivative IUPAC Name: | (2R,3R,4S,5S,6R)-3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-[(2R,3S)-3,4-dihydroxy-2-[(trimethylsilyl)oxy]butoxy]oxan-4-yl hexadecanoate |
| Derivative SMILES: | CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC[C@@H](O[Si](C)(C)C)[C@@H](O)CO)O[C@H](COC(C)=O)[C@H]1OC(C)=O |
| Derivative InChIKey: | InChIKey=LTNMCFXXGBAHFQ-UJDJECKRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 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: | C32H56O13 |
| Molecular Weight (Monoisotopic Mass): | 648.3721 Da |
| Derivative Type: | TMS_1_3 |
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 | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References