Dataset

4-BROMOBENZOYLMETHYL(12Z)-9,10-EPOXYOCTAD

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004597 contains the MS mass spectrum of 4-BROMOBENZOYLMETHYL(12Z)-9,10-EPOXYOCTAD with the InChIkey SQSKIUQVTZZYPC-YFHOEESVSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H37BrO4/c1-2-3-4-5-7-10-13-24-25(31-24)14-11-8-6-9-12-15-26(29)30-20-23(28)21-16-18-22(27)19-17-21/h7,10,16-19,24-25H,2-6,8-9,11-15,20H2,1H3/b10-7-
SMILES C(C(CCCCCCCC(=O)OCC(=O)c(c2)ccc(Br)c2)1)(CC=CCCCCC)O1
InChI Key SQSKIUQVTZZYPC-YFHOEESVSA-N
Molecular Formula C26H37BrO4
Exact Mass 492.188 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004597
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:25:52.952812
MetadataModified 2025-02-09T12:05:46.667615
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101618271 PubChem
J45.891K Nikkaji
The data in this table is sourced from UniChem at EBI.