Dataset

1,4-BUTANEDICARBONITRILE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004298 contains the MS mass spectrum of 1,4-BUTANEDICARBONITRILE with the InChIkey BTGRAWJCKBQKAO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
SMILES N#CCCCCC#N
InChI Key BTGRAWJCKBQKAO-UHFFFAOYSA-N
Molecular Formula C6H8N2
Exact Mass 108.069 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004298
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:17.102084
MetadataModified 2024-01-11T15:56:17.284567
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
69510 Brenda
3324 Brenda
CB6388968 ChemicalBook
475012 eMolecules
15321168 PubChem: Thomson Pharma
68411-90-5 ACToR
CHEMBL2132938 ChEMBL
111-69-3 ACToR
J2.456B Nikkaji
HMDB0248015 Human Metabolome Database
BEKFEF CCDC
DTXSID3021936 EPA CompTox Dashboard
MCULE-6300737279 Mcule
248875 Brenda
229512 Brenda
ZINC000001683668 ZINC
10017074 NMRShiftDB
8128 PubChem
SYT33B891I FDA SRS
SCHEMBL59340 SureChEMBL
The data in this table is sourced from UniChem at EBI.