Dataset

2-METHYL-8-QUINOLINOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007818 contains the MS mass spectrum of 2-METHYL-8-QUINOLINOL with the InChIkey NBYLBWHHTUWMER-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
SMILES Cc(c1)nc(c(O)2)c(ccc2)c1
InChI Key NBYLBWHHTUWMER-UHFFFAOYSA-N
Molecular Formula C10H9NO
Exact Mass 159.068 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-JP007818
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:01.450302
MetadataModified 2024-01-11T15:56:01.626027
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL316892 ChEMBL
520146 eMolecules
ZINC000012341384 ZINC
DTXSID3061184 EPA CompTox Dashboard
50065785 BindingDB
97673 Brenda
175241 Brenda
CB7112580 ChemicalBook
MCULE-1946332877 Mcule
YIRKOA CCDC
10024955 NMRShiftDB
7W631H5302 FDA SRS
J3.333B Nikkaji
13224 PubChem
180510 ChEBI
15237817 PubChem: Thomson Pharma
SCHEMBL297247 SureChEMBL
826-81-3 ACToR
The data in this table is sourced from UniChem at EBI.