Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (CDB004349)
Spectrum Details
| CDB ID: | CDB004349 |
|---|---|
| Compound Name: | PG(18:1(11Z)/20:1(11Z)) |
| Derivative IUPAC Name: | [(2S)-2-hydroxy-3-[(trimethylsilyl)oxy]propoxy][(2R)-2-[(11Z)-icos-11-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid |
| Derivative SMILES: | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO[Si](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
| Derivative InChIKey: | InChIKey=AVUXSSADOQNVGB-QBQWQDAASA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C44H83O10P |
| Molecular Weight (Monoisotopic Mass): | 802.5724 Da |
| Derivative Type: | TMS_1_2 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 774 Bytes |
| mzML formatted file (MZML) | Download file | 4.64 KB |
References