Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive (MMDBc0047218)
Spectrum Details
| MiMe ID: | MMDBc0047218 |
|---|---|
| Compound Name: | PS(14:0/15:0) |
| Derivative IUPAC Name: | (2S)-3-({hydroxy[(2R)-2-(pentadecanoyloxy)-3-(tetradecanoyloxy)propoxy]phosphoryl}oxy)-2-[(trimethylsilyl)amino]propanoic acid |
| Derivative SMILES: | CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N[Si](C)(C)C)C(=O)O |
| Derivative InChIKey: | InChIKey=CMIWOYVFCWOAKI-GPOMZPHUSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - 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: | C35H68NO10P |
| Molecular Weight (Monoisotopic Mass): | 693.4581 Da |
| Derivative Type: | TMS_1_3 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@H](N[Si](C)(C)C)C(=O)O)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 748 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available