Dataset

ETHYL ALPHA-CYANO-GAMMA-KETOVALERATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004744 contains the MS mass spectrum of ETHYL ALPHA-CYANO-GAMMA-KETOVALERATE with the InChIkey WCOOHFKTZREKRW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H11NO3/c1-3-12-8(11)7(5-9)4-6(2)10/h7H,3-4H2,1-2H3
SMILES CCOC(=O)C(C#N)CC(C)=O
InChI Key WCOOHFKTZREKRW-UHFFFAOYSA-N
Molecular Formula C8H11NO3
Exact Mass 169.074 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-JP004744
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:07.701337
MetadataModified 2025-02-09T11:58:33.825631
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15898899 PubChem: Thomson Pharma
SCHEMBL8355327 SureChEMBL
J47.181J Nikkaji
DTXSID90281422 EPA CompTox Dashboard
228589 PubChem
The data in this table is sourced from UniChem at EBI.