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

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

1,4-BUTANEDICARBONITRILEHTML
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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.