Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive (MMDBc0046741)
Spectrum Details
| MiMe ID: | MMDBc0046741 |
|---|---|
| Compound Name: | PG(16:1(9Z)/18:0) |
| Derivative IUPAC Name: | (2R)-1-[(9Z)-hexadec-9-enoyloxy]-3-({[(2S)-3-hydroxy-2-[(trimethylsilyl)oxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)propan-2-yl octadecanoate |
| Derivative SMILES: | CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@H](CO)O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=WRGUPHZXSMBWIQ-NZFJVLFMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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: | C40H77O10P |
| Molecular Weight (Monoisotopic Mass): | 748.5254 Da |
| Derivative Type: | TMS_2_2 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@H](CO)O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available