Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 70eV, Positive (MMDBc0033235)
Spectrum Details
| MiMe ID: | MMDBc0033235 |
|---|---|
| Compound Name: | IPC 18:0;3/16:0;1 |
| Derivative IUPAC Name: | {[(2S,3S,4R)-3,4-dihydroxy-2-[(9R)-9-hydroxy-N-(trimethylsilyl)hexadecanamido]octadecyl]oxy}({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid |
| Derivative SMILES: | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)N(C(=O)CCCCCCC[C@H](O)CCCCCCC)[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=PIVOZNRSYAPUIS-RTJUCCEHSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_10) - 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: | C40H80NO13P |
| Molecular Weight (Monoisotopic Mass): | 813.5367 Da |
| Derivative Type: | TMS_1_10 |
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 | 4.64 KB |
References