Dataset

Histamine; LC-ESI-QTOF; MS2; HILIC; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU530907 contains the MS2 mass spectrum of Histamine with the InChIkey NTYJJOPFIAHURM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
SMILES c1c([nH]cn1)CCN
InChI Key NTYJJOPFIAHURM-UHFFFAOYSA-N
Molecular Formula C5H9N3
Exact Mass 111.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU530907
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Maintainer
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MetadataPublished 2016-02-26
Related Molecule
  • 2-(1H-imidazol-5-yl)ethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB05381 drugbank
    CHEBI:18295 chebi
    HSM rcsb_pdb
    CHEMBL90 chembl
    2279 surechembl
    288432 surechembl
    774 pubchem
    820484N8I3 fdasrs
    1204 gtopdb
    1247 gtopdb
    PD012019 probes_and_drugs
    HISTAN CCDC
    190347 brenda
    56988 brenda
    605 brenda
    HSM pdbe
    HMDB0000870 hmdb
    DTXSID4023125 comptox
    NCT00387738 clinicaltrials
    NCT00537355 clinicaltrials
    NCT00630383 clinicaltrials
    NCT00719472 clinicaltrials
    NCT00866788 clinicaltrials
    NCT01112722 clinicaltrials
    NCT01264939 clinicaltrials
    NCT01292070 clinicaltrials
    NCT01380678 clinicaltrials
    NCT01689363 clinicaltrials
    NCT01719133 clinicaltrials
    NCT01737931 clinicaltrials
    NCT01925729 clinicaltrials
    NCT01989897 clinicaltrials
    NCT02882217 clinicaltrials
    Molport-001-785-597 molport
    Molport-002-042-264 molport
    50121205 bindingdb
    7966 bindingdb
    The data in this table is sourced from UniChem at EBI.