Dataset

L-Histidine standard; LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P100801_FB57 contains the MS2 mass spectrum of L-Histidine standard with the InChIkey HNDVDQJCIGZPNO-YFKPBYRVSA-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)/t5-/m0/s1
SMILES C1=C(NC=N1)C[C@@H](C(=O)O)N
InChI Key HNDVDQJCIGZPNO-YFKPBYRVSA-N
Molecular Formula C6H9N3O2
Exact Mass 155.070 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-Antwerp_Univ-METOX_P100801_FB57
Version
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MetadataPublished 2021-12-08
Related Molecule
  • (2S)-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
    57595 ChEBI
    15971 ChEBI
    C00135 KEGG Ligand
    DB00117 DrugBank
    CHEMBL17962 ChEMBL
    L-HISTIDINE clinicaltrials
    DTXSID9023126 EPA CompTox Dashboard
    HISTIDINE DailyMed
    1377 DrugCentral
    HISTIDINE HYDROCHLORIDE clinicaltrials
    HISTIDINE MONOHYDROCHLORIDE clinicaltrials
    HY-N0832 MedChemExpress
    229578 Brenda
    7953 BindingDB
    HISTIDINE MONOHYDROCHLORIDE rxnorm
    HISTIDINE rxnorm
    HISTIDINE clinicaltrials
    KAGGEI CCDC
    J4.881J Nikkaji
    3310 Guide to Pharmacology
    4670 Guide to Pharmacology
    6274 PubChem
    1062 Brenda
    6971009 PubChem
    SCHEMBL3259 SureChEMBL
    MCULE-4083000888 Mcule
    834 Brenda
    1063 Brenda
    124072 Brenda
    349 Brenda
    124062 Brenda
    124789 Brenda
    124801 Brenda
    21613 Brenda
    50804 Brenda
    21614 Brenda
    HMDB0000177 Human Metabolome Database
    57595 Rhea
    CB6705020 ChemicalBook
    histidine DailyMed
    ZINC000006661227 ZINC
    MTBLC15971 Metabolights
    MTBLC57595 Metabolights
    PA449882 PharmGKB
    15321675 PubChem: Thomson Pharma
    60018682 NMRShiftDB
    PD010235 ProbesDrugs
    4QD397987E FDA SRS
    15170951 PubChem: Thomson Pharma
    his_L Recon
    150-35-6 ACToR
    7006-35-1 ACToR
    15321676 PubChem: Thomson Pharma
    26062-48-6 ACToR
    518145 eMolecules
    883971 eMolecules
    The data in this table is sourced from UniChem at EBI.