Dataset

4-AMINOBENZYL CYANIDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009536 contains the MS mass spectrum of 4-AMINOBENZYL CYANIDE with the InChIkey YCWRFIYBUQBHJI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
SMILES N#CCc(c1)ccc(N)c1
InChI Key YCWRFIYBUQBHJI-UHFFFAOYSA-N
Molecular Formula C8H8N2
Exact Mass 132.069 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-JP009536
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:32.989321
MetadataModified 2024-01-11T15:57:33.159222
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL141424 SureChEMBL
534168 eMolecules
16080821 PubChem: Thomson Pharma
3544-25-0 ACToR
CB0778671 ChemicalBook
CB6206936 ChemicalBook
123889 Brenda
43413 Brenda
133115 Brenda
DTXSID50188923 EPA CompTox Dashboard
248303 Brenda
J184H Nikkaji
ZINC000000152526 ZINC
20044901 NMRShiftDB
77000 PubChem
MCULE-5084500896 Mcule
The data in this table is sourced from UniChem at EBI.