Predicted GC-MS Spectrum - PS(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) GC-MS (TMS_1_3) - 70eV, Positive (HMDB0281744)
Spectrum Details
| HMDB ID: | HMDB0281744 |
|---|---|
| Compound Name: | PS(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)CC |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - PS(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 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: | C44H72NO11P |
| Molecular Weight (Monoisotopic Mass): | 821.4843 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)CC)
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