Dataset

1-IODOOCTANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004685 contains the MS mass spectrum of 1-IODOOCTANE with the InChIkey UWLHSHAHTBJTBA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
SMILES CCCCCCCCI
InChI Key UWLHSHAHTBJTBA-UHFFFAOYSA-N
Molecular Formula C8H17I
Exact Mass 240.037 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-JP004685
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:55.304767
MetadataModified 2024-01-11T15:56:55.502311
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7304806902 Mcule
490734 eMolecules
12380 PubChem
15949051 PubChem: Thomson Pharma
629-27-6 ACToR
ZINC000002031601 ZINC
DTXSID4060868 EPA CompTox Dashboard
136701 Brenda
CB5729476 ChemicalBook
SCHEMBL84103 SureChEMBL
20200077 NMRShiftDB
J524J Nikkaji
The data in this table is sourced from UniChem at EBI.