Predicted GC-MS Spectrum - PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)) GC-MS (TMS_1_3) - 70eV, Positive (HMDB0261681)
Spectrum Details
| HMDB ID: | HMDB0261681 |
|---|---|
| Compound Name: | PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC[C@H](O)[C@@H](O)/C=C\C=C/C=C/C=C/[C@@H](C/C=C\CC)O[Si](C)(C)C)COP(=O)(O)OCCN |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/18:3(9Z,12Z,15Z)) GC-MS (TMS_1_3) - 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: | C43H70NO11P |
| Molecular Weight (Monoisotopic Mass): | 807.4686 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC[C@H](O)[C@@H](O)/C=C\C=C/C=C/C=C/[C@@H](C/C=C\CC)O[Si](C)(C)C)COP(=O)(O)OCCN)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 753 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available