Dataset

Histidinol; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01544 contains the MS2 mass spectrum of Histidinol with the InChIkey ZQISRDCJNBUVMM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
SMILES C1=C(NC=N1)CC(CO)N
InChI Key ZQISRDCJNBUVMM-UHFFFAOYSA-N
Molecular Formula C6H11N3O
Exact Mass 141.090 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-Washington_State_Univ-BML01544
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-(1H-imidazol-5-yl)propan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID70880033 EPA CompTox Dashboard
    J12.238F Nikkaji
    HMDB0253185 Human Metabolome Database
    20045930 NMRShiftDB
    MCULE-7997190567 Mcule
    SCHEMBL65204 SureChEMBL
    PD044792 ProbesDrugs
    CHEMBL2007999 ChEMBL
    152232950 PubChem: Thomson Pharma
    776 PubChem
    The data in this table is sourced from UniChem at EBI.