Dataset

Butethal

This MassBank record with Accession MSBNK-Waters-WA000585 contains the MS mass spectrum of Butethal with the InChIkey STDBAQMTJLUMFW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
SMILES CCCCC(CC)(C(=O)1)C(=O)NC(=O)N1
InChI Key STDBAQMTJLUMFW-UHFFFAOYSA-N
Molecular Formula C10H16N2O3
Exact Mass 212.116 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-WA000585
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:11.354889
MetadataModified 2024-01-11T22:50:11.504807
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD009538 ProbesDrugs
OHZ8QAW6YC FDA SRS
77-28-1 ACToR
SCHEMBL44262 SureChEMBL
14969363 PubChem: Thomson Pharma
ZINC000005514900 ZINC
PA164748035 PharmGKB
HMDB0015442 Human Metabolome Database
6473 PubChem
MCULE-8998219052 Mcule
6218656 eMolecules
CHEMBL404422 ChEMBL
DB01353 DrugBank
J4.556J Nikkaji
ETBBAR CCDC
BUTOBARBITAL rxnorm
DTXSID70227808 EPA CompTox Dashboard
134884 ChEBI
449 DrugCentral
The data in this table is sourced from UniChem at EBI.