Dataset

3-Hydroxycotinine; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01088708 contains the MS2 mass spectrum of 3-Hydroxycotinine with the InChIkey XOKCJXZZNAUIQN-UHFFFAOYSA-N.

Chemical Information

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-EQ01088708
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MetadataPublished 2024-05-08
Related Molecule
  • 3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
    • 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.