Predicted GC-MS Spectrum - PE(18:3(9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) GC-MS (TMS_1_3) - 70eV, Positive (HMDB0261678)
Spectrum Details
| HMDB ID: | HMDB0261678 |
|---|---|
| Compound Name: | PE(18:3(9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PE(18:3(9Z,12Z,15Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 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: | C45H72NO10P |
| Molecular Weight (Monoisotopic Mass): | 817.4894 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)OC(=O)CCC/C=C\[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CC)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 758 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available