Predicted GC-MS Spectrum - PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0) GC-MS (TMS_2_7) - 70eV, Positive (HMDB0266628)
Spectrum Details
| HMDB ID: | HMDB0266628 |
|---|---|
| Compound Name: | PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCCCCC(=O)O[C@H](COC(=O)CCC[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCCC)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/8:0) GC-MS (TMS_2_7) - 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: | C31H53O11P |
| Molecular Weight (Monoisotopic Mass): | 632.3325 Da |
| Derivative Type: | TMS_2_7 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC(=O)O[C@H](COC(=O)CCC[C@@H](O)[C@H](O)/C=C/C=C/C=C\C=C\[C@H](O)CCCCC)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 | 751 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available