Dataset

TRANS-2-HEXENYL HEPTANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010891 contains the MS mass spectrum of TRANS-2-HEXENYL HEPTANOATE with the InChIkey QZZLOJKCWGHIFS-CSKARUKUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H24O2/c1-3-5-7-9-11-13(14)15-12-10-8-6-4-2/h8,10H,3-7,9,11-12H2,1-2H3/b10-8+
SMILES CCCCCCC(=O)OCC=CCCC
InChI Key QZZLOJKCWGHIFS-CSKARUKUSA-N
Molecular Formula C13H24O2
Exact Mass 212.178 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-JP010891
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:08.704517
MetadataModified 2024-01-11T15:56:08.866985
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91749802 PubChem
J504.905I Nikkaji
The data in this table is sourced from UniChem at EBI.