Predicted GC-MS Spectrum - PA(22:4(7Z,10Z,13Z,16Z)/PGE1) GC-MS (TMS_1_2) - 70eV, Positive (HMDB0265954)
Spectrum Details
| HMDB ID: | HMDB0265954 |
|---|---|
| Compound Name: | PA(22:4(7Z,10Z,13Z,16Z)/PGE1) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C)[C@@H]1/C=C/[C@@H](O)CCCCC |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PA(22:4(7Z,10Z,13Z,16Z)/PGE1) 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: | C45H75O11P |
| Molecular Weight (Monoisotopic Mass): | 822.5047 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C)[C@@H]1/C=C/[C@@H](O)CCCCC)
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