Dataset

Butamben

This MassBank record with Accession MSBNK-Waters-WA001768 contains the MS mass spectrum of Butamben with the InChIkey HUIYGGQINIVDNW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7H,2-3,8,12H2,1H3
SMILES CCCCOC(=O)c(c1)c(N)ccc1
InChI Key HUIYGGQINIVDNW-UHFFFAOYSA-N
Molecular Formula C11H15NO2
Exact Mass 193.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001768
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:17.913600
MetadataModified 2025-02-09T20:22:36.861366
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1558498 ChEMBL
DTXSID5024683 EPA CompTox Dashboard
86192 ChEBI
ZINC000001599253 ZINC
J47.852K Nikkaji
MCULE-7025055342 Mcule
HMDB0036906 Human Metabolome Database
CB5317594 ChemicalBook
MTBLC86192 Metabolights
595575 eMolecules
SCHEMBL869504 SureChEMBL
24433 PubChem
73DAT3M81O FDA SRS
7756-96-9 ACToR
The data in this table is sourced from UniChem at EBI.