Dataset

TRANS-2-HEXENYL SALICYLATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009245 contains the MS mass spectrum of TRANS-2-HEXENYL SALICYLATE with the InChIkey DLWPCXLFHSLSMZ-QPJJXVBHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h4-9,14H,2-3,10H2,1H3/b7-4+
SMILES CCCC=CCOC(=O)c(c1)c(O)ccc1
InChI Key DLWPCXLFHSLSMZ-QPJJXVBHSA-N
Molecular Formula C13H16O3
Exact Mass 220.110 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-JP009245
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:52.024337
MetadataModified 2024-01-11T15:55:52.205636
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL3508496 SureChEMBL
6437473 PubChem
68133-77-7 ACToR
ZINC000002575438 ZINC
J334.054F Nikkaji
DTXSID80887179 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.