Predicted GC-MS Spectrum - PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-21:0) GC-MS (TMS_1_2) - 70eV, Positive (HMDB0268331)
Spectrum Details
| HMDB ID: | HMDB0268331 |
|---|---|
| Compound Name: | PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-21:0) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC/C=C\C[C@H](/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PA(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/i-21:0) GC-MS (TMS_1_2) - 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: | C46H79O10P |
| Molecular Weight (Monoisotopic Mass): | 822.5411 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C[C@H](/C=C/C=C\C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 752 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available