13(S)-HpOTrE
6833
Reference
13(S)-HpOTrE Structure
Systematic / IUPAC Name: (9Z,11E,15Z)-13-Hydroperoxy-9,11,15-octadecatrienoic acid
ID: Reference6833
Other Names: 13S-Hydroperoxy-9Z,11E,15Z-octadecatrienoic acid
Formula: C18H30O4
Spectral Data
13(S)-HpOTrE mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 2 |
| No. of Spectra | 1516 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/18/2017 12:13:03 PM |
Identificators
| InChI | InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7-,11-3-,15-12+ |
| InChI Key | UYQGVDXDXBAABN-JDTPQGGVSA-N |
| Canonical SMILES | CCC=CCC(C=CC=CCCCCCCCC(=O)O)OO |
| CAS | 67597266 |
| Splash | |
| Other Names | 13S-Hydroperoxy-9Z,11E,15Z-octadecatrienoic acid |