Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0044851)
Spectrum Details
MiMe ID: | MMDBc0044851 |
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Compound Name: | DG(18:1(11Z)/20:1(11Z)/0:0) |
Derivative IUPAC Name: | (2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(trimethylsilyl)oxy]propan-2-yl (11Z)-icos-11-enoate |
Derivative SMILES: | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC |
Derivative InChIKey: | InChIKey=FWRIPTVBFGDXSI-KLIGKRKFSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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: | C41H76O5 |
Molecular Weight (Monoisotopic Mass): | 648.5693 Da |
Derivative Type: | TMS_1_1 |
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 | 778 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References