You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Toxin, Toxin Target Database.
Predicted GC-MS Spectrum - GC-MS (TBDMS_1_1) - 70eV, Positive (T3D4802)
Spectrum Details
T3DB ID: | T3D4802 |
---|---|
Compound Name: | Oleic acid |
Derivative IUPAC Name: | tert-butyldimethylsilyl (9Z)-octadec-9-enoate |
Derivative SMILES: | CCCCCCCC/C=C\CCCCCCCC(=O)O[Si](C)(C)C(C)(C)C |
Derivative InChIKey: | InChIKey=AHEYVESKZHRBPB-PFONDFGASA-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: | C18H34O2 |
Molecular Weight (Monoisotopic Mass): | 282.2559 Da |
Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC/C=C\CCCCCCCC(=O)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 | 753 Bytes |
mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available