Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0031348)
Spectrum Details
| MiMe ID: | MMDBc0031348 |
|---|---|
| Compound Name: | PS(12:0(3-OH)/10:0(3-OH)) |
| Derivative IUPAC Name: | (2S)-2-amino-3-({[(2R)-3-[(3-hydroxydodecanoyl)oxy]-2-({3-[(trimethylsilyl)oxy]decanoyl}oxy)propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)propanoic acid |
| Derivative SMILES: | CCCCCCCCCC(O)CC(=O)OC[C@H](COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C)OC(=O)CC(CCCCCCC)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=CNCRHLJMQOKDRQ-PBRGUYSTSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C28H54NO12P |
| Molecular Weight (Monoisotopic Mass): | 627.3384 Da |
| Derivative Type: | TMS_2_6 |
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 | 772 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References