Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0031393)
Spectrum Details
MiMe ID: | MMDBc0031393 |
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Compound Name: | PS(16:0/14:0(3-OH)) |
Derivative IUPAC Name: | (2S)-3-({[(2R)-3-(hexadecanoyloxy)-2-[(3-hydroxytetradecanoyl)oxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-[(trimethylsilyl)amino]propanoic acid |
Derivative SMILES: | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)OC(=O)CC(O)CCCCCCCCCCC |
Derivative InChIKey: | InChIKey=YTFFSFGUPKBJSG-FBBDTUGWSA-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 |
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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: | C36H70NO11P |
Molecular Weight (Monoisotopic Mass): | 723.4686 Da |
Derivative Type: | TMS_2_6 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document Description | Download | File Size |
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Generated list of m/z values for the spectrum (TSV) | Download file | 775 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References