Dataset

Histidine; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01094 contains the MS2 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-BML01094
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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
    C00768 KEGG Ligand
    27570 ChEBI
    QU6SDF3Q03 FDA SRS
    ADAVUW CCDC
    81938 BindingDB
    HMDB0250763 Human Metabolome Database
    J1.290D Nikkaji
    15741 Brenda
    CB2177472 ChemicalBook
    MTBLC27570 Metabolights
    6510 Brenda
    MCULE-6787534916 Mcule
    SCHEMBL3258 SureChEMBL
    20025081 NMRShiftDB
    10016969 NMRShiftDB
    773 PubChem
    3651426 PubChem
    PD094120 ProbesDrugs
    15120226 PubChem: Thomson Pharma
    184709-11-3 ACToR
    96185-91-0 ACToR
    57644999 PubChem: Thomson Pharma
    712832 eMolecules
    27520527 eMolecules
    518165 eMolecules
    The data in this table is sourced from UniChem at EBI.