Predicted GC-MS Spectrum - PA(18:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) GC-MS (TBDMS_1_2) - 70eV, Positive (HMDB0263637)
Spectrum Details
| HMDB ID: | HMDB0263637 |
|---|---|
| Compound Name: | PA(18:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PA(18:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) GC-MS (TBDMS_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: | C41H71O9P |
| Molecular Weight (Monoisotopic Mass): | 738.4836 Da |
| Derivative Type: | TBDMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available