Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0026029)
Spectrum Details
| MiMe ID: | MMDBc0026029 |
|---|---|
| Compound Name: | (3R,5R)-3-(((3R,5R)-5-(((3R,5R)-3,5-dihydroxydecan oyl)oxy)-3-hydroxydecanoyl)oxy)-5-hydroxydecanoic acid |
| Derivative IUPAC Name: | (3R,5R)-5-hydroxy-3-{[(3R,5R)-3-hydroxy-5-{[(3R,5R)-3-hydroxy-5-[(trimethylsilyl)oxy]decanoyl]oxy}decanoyl]oxy}decanoic acid |
| Derivative SMILES: | CCCCC[C@@H](O)C[C@H](CC(=O)O)OC(=O)C[C@H](O)C[C@@H](CCCCC)OC(=O)C[C@H](O)C[C@@H](CCCCC)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ONWJEAPROUBMFY-VHNXJUCRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C30H56O10 |
| Molecular Weight (Monoisotopic Mass): | 576.3873 Da |
| Derivative Type: | TMS_1_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