Dataset

3-Hydroxycotinine

This MassBank record with Accession MSBNK-Eawag-EQ01088705 contains the MS2 mass spectrum of 3-Hydroxycotinine with the InChIkey XOKCJXZZNAUIQN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3
SMILES CN1C(CC(C1=O)O)C2=CN=CC=C2
InChI Key XOKCJXZZNAUIQN-UHFFFAOYSA-N
Molecular Formula C10H12N2O2
Exact Mass 192.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01088705
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:02.684079
MetadataModified 2025-02-09T10:03:02.845394
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
27323-64-4 ACToR
PD046335 ProbesDrugs
37096-14-3 ACToR
181957 ChEBI
SCHEMBL4538005 SureChEMBL
79581-34-3 ACToR
J1.447.963E Nikkaji
DTXSID30891867 EPA CompTox Dashboard
HMDB0304504 Human Metabolome Database
414 PubChem
The data in this table is sourced from UniChem at EBI.