Predicted GC-MS Spectrum - PA(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) GC-MS (TMS_2_4) - 70eV, Positive (HMDB0263443)
Spectrum Details
| HMDB ID: | HMDB0263443 |
|---|---|
| Compound Name: | PA(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PA(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) 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: | C39H67O10P |
| Molecular Weight (Monoisotopic Mass): | 726.4472 Da |
| Derivative Type: | TMS_2_4 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 757 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available