Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive (MMDBc0045155)
Spectrum Details
| MiMe ID: | MMDBc0045155 |
|---|---|
| Compound Name: | Lyso-PI(20:4(5Z,8Z,11Z,14Z)/0:0) |
| Derivative IUPAC Name: | 3-({[(2,3,4,5,6-pentahydroxycyclohexyl)oxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-[(trimethylsilyl)oxy]propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
| Derivative SMILES: | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COP(=O)(OC1C(O)C(O)C(O)C(O)C1O)O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=LPOUXCKEJFVJBD-SYNYMFHXNA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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: | C29H49O12P |
| Molecular Weight (Monoisotopic Mass): | 620.2962 Da |
| Derivative Type: | TMS_2_4 |
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