Dataset

DEET

This MassBank record with Accession MSBNK-CASMI_2016-SM879706 contains the MS2 mass spectrum of DEET with the InChIkey MMOXZBCLCQITDF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
SMILES CCN(CC)C(=O)C1=CC(C)=CC=C1
InChI Key MMOXZBCLCQITDF-UHFFFAOYSA-N
Molecular Formula C12H17NO
Exact Mass 191.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-CASMI_2016-SM879706
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:42:19.139054
MetadataModified 2024-01-11T12:42:19.307516
MetadataPublished 2016-12-12
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables