Dataset

MEX_236.1645_17.7

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET090205 contains the MS2 mass spectrum of MEX_236.1645_17.7 with the InChIkey KQTNKAWCVIBWHG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H21NO2/c1-5-13(16)15-12(4)9-17-14-10(2)7-6-8-11(14)3/h6-8,12H,5,9H2,1-4H3,(H,15,16)
SMILES CCC(=O)NC(C)COc1c(C)cccc1C
InChI Key KQTNKAWCVIBWHG-UHFFFAOYSA-N
Molecular Formula C14H21NO2
Exact Mass 235.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET090205
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:39.897159
MetadataModified 2025-02-09T11:06:24.780993
MetadataPublished 2016-03-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-9125049075 Mcule
DTXSID00891591 EPA CompTox Dashboard
133052753 PubChem
The data in this table is sourced from UniChem at EBI.