Predicted GC-MS Spectrum - GC-MS (TMS_4_11) - 70eV, Positive (MMDBc0045163)
Spectrum Details
| MiMe ID: | MMDBc0045163 |
|---|---|
| Compound Name: | Lyso-PI(0:0/18:2(9Z,11Z)) |
| Derivative IUPAC Name: | 1-{[({2,4,6-trihydroxy-3,5-bis[(trimethylsilyl)oxy]cyclohexyl}oxy)[(trimethylsilyl)oxy]phosphoryl]oxy}-3-[(trimethylsilyl)oxy]propan-2-yl (9Z,11Z)-octadeca-9,11-dienoate |
| Derivative SMILES: | CCCCCC/C=C\C=C/CCCCCCCC(=O)OC(CO[Si](C)(C)C)COP(=O)(OC1C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=XTYSXWFQSBDJDO-ZEINVRMVNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_4_11) - 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: | C27H49O12P |
| Molecular Weight (Monoisotopic Mass): | 596.2962 Da |
| Derivative Type: | TMS_4_11 |
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