Dataset

CIS-2-OCTENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012215 contains the MS mass spectrum of CIS-2-OCTENE with the InChIkey ILPBINAXDRFYPL-HWKANZROSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+
SMILES CCCCCC=CC
InChI Key ILPBINAXDRFYPL-HWKANZROSA-N
Molecular Formula C8H16
Exact Mass 112.125 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-JP012215
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:32.375771
MetadataModified 2024-01-11T15:57:32.567846
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10017-53-5 ACToR
15321200 PubChem: Thomson Pharma
111-67-1 ACToR
60026063 NMRShiftDB
478654 eMolecules
CB6441401 ChemicalBook
J87.928B Nikkaji
88820 ChEBI
MTBLC88820 Metabolights
CB9441402 ChemicalBook
DTXSID30872994 EPA CompTox Dashboard
ZINC000001693961 ZINC
J87.929K Nikkaji
SCHEMBL35676 SureChEMBL
5364448 PubChem
G13G1YR8YW FDA SRS
The data in this table is sourced from UniChem at EBI.