Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive (MMDBc0032677)
Spectrum Details
MiMe ID: | MMDBc0032677 |
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Compound Name: | DG(12:0(3-OH)/18:1(9Z)/0:0) |
Derivative IUPAC Name: | (2R)-2-hydroxy-3-({3-[(trimethylsilyl)oxy]dodecanoyl}oxy)propyl (9Z)-octadec-9-enoate |
Derivative SMILES: | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CC(CCCCCCCCC)O[Si](C)(C)C |
Derivative InChIKey: | InChIKey=QXMZMJHWVAEUIE-MDQVQMQNSA-N |
Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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 |
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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: | C33H62O6 |
Molecular Weight (Monoisotopic Mass): | 554.4546 Da |
Derivative Type: | TMS_1_2 |
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 | 776 Bytes |
mzML formatted file (MZML) | Download file | 4.63 KB |
References