Dataset

CIS-3-HEPTENOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006852 contains the MS mass spectrum of CIS-3-HEPTENOL with the InChIkey SDZQUCJFTUULJX-PLNGDYQASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4-
SMILES CCCC=CCCO
InChI Key SDZQUCJFTUULJX-PLNGDYQASA-N
Molecular Formula C7H14O
Exact Mass 114.104 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-JP006852
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:21.162962
MetadataModified 2024-01-11T15:56:21.322849
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16312117 PubChem: Thomson Pharma
CB5282182 ChemicalBook
5364517 PubChem
SCHEMBL1171568 SureChEMBL
J126.441I Nikkaji
DTXSID90883743 EPA CompTox Dashboard
LB4D00V63H FDA SRS
ZINC000005225091 ZINC
474242 eMolecules
The data in this table is sourced from UniChem at EBI.