Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB002551)
Spectrum Details
| CDB ID: | CDB002551 |
|---|---|
| Compound Name: | DG(20:1(13Z)/16:0/0:0) |
| Derivative IUPAC Name: | (2R)-2-(hexadecanoyloxy)-3-[(trimethylsilyl)oxy]propyl (13Z)-icos-13-enoate |
| Derivative SMILES: | CCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC |
| Derivative InChIKey: | InChIKey=NKJNOCTUSFKFET-KWNHIAGJSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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: | C42H82O5Si |
| Molecular Weight (Monoisotopic Mass): | 694.593 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 754 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available