Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (MMDBc0032021)
Spectrum Details
| MiMe ID: | MMDBc0032021 |
|---|---|
| Compound Name: | DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0) |
| Derivative IUPAC Name: | (2R)-2-[(tert-butyldimethylsilyl)oxy]-3-(docosanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate |
| Derivative SMILES: | CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C |
| Derivative InChIKey: | InChIKey=ORDQLYMSNRPILB-BTQBXVJESA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TBDMS_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 |
|---|---|
| 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: | C47H82O5 |
| Molecular Weight (Monoisotopic Mass): | 726.6162 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 762 Bytes |
| mzML formatted file (MZML) | Download file | 4.67 KB |
References
Not Available