Dataset

Histidine; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81408 contains the MS mass spectrum of Histidine with the InChIkey HNDVDQJCIGZPNO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
SMILES C1=C(NC=N1)CC(C(=O)O)N
InChI Key HNDVDQJCIGZPNO-UHFFFAOYSA-N
Molecular Formula C6H9N3O2
Exact Mass 155.069 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-Washington_State_Univ-BML81408
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-(1H-imidazol-5-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:27570 chebi
    137600 surechembl
    3258 surechembl
    173075490 pubchem
    3651426 pubchem
    773 pubchem
    QU6SDF3Q03 fdasrs
    3310 gtopdb
    4670 gtopdb
    4679 gtopdb
    PD094120 probes_and_drugs
    ADAVUW CCDC
    15741 brenda
    6510 brenda
    HMDB0250763 hmdb
    156857 bindingdb
    Molport-001-779-923 molport
    Molport-003-936-071 molport
    The data in this table is sourced from UniChem at EBI.