Dataset

Butalamine

This MassBank record with Accession MSBNK-Waters-WA001611 contains the MS mass spectrum of Butalamine with the InChIkey VYWQZAARVNRSTR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)
SMILES CCCCN(CCCC)CCNc(o2)nc(n2)c(c1)cccc1
InChI Key VYWQZAARVNRSTR-UHFFFAOYSA-N
Molecular Formula C18H28N4O
Exact Mass 316.226 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-WA001611
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:41:52.384111
MetadataModified 2025-02-09T20:22:52.847581
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1697825 ChEMBL
DB13681 DrugBank
J10.898G Nikkaji
ZINC000002002230 ZINC
BUTALAMINE rxnorm
135354 ChEBI
440 DrugCentral
DTXSID1022710 EPA CompTox Dashboard
SCHEMBL153501 SureChEMBL
140T9JTG43 FDA SRS
22131-35-7 ACToR
PD072847 ProbesDrugs
30949 PubChem
16828524 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.