Dataset

8-methanesulfinyloctanenitrile

This MassBank record with Accession MSBNK-RIKEN-PR310894 contains the MS2 mass spectrum of 8-methanesulfinyloctanenitrile with the InChIkey VRYSUGWFYFXWLB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
SMILES N#CCCCCCCCS(=O)C
InChI Key VRYSUGWFYFXWLB-UHFFFAOYSA-N
Molecular Formula C9H17NOS
Exact Mass 187.306 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-RIKEN-PR310894
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:40.642281
MetadataModified 2024-01-11T20:42:40.858677
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC91154 Metabolights
121232644 PubChem
91154 ChEBI
60027427 NMRShiftDB
The data in this table is sourced from UniChem at EBI.