Dataset

Agmatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002254 contains the MS2 mass spectrum of Agmatine with the InChIkey QYPPJABKJHAVHS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
SMILES NCCCCNC(N)=N
InChI Key QYPPJABKJHAVHS-UHFFFAOYSA-N
Molecular Formula C5H14N4
Exact Mass 130.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002254
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-aminobutyl)guanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08838 drugbank
    CHEBI:17431 chebi
    AG2 rcsb_pdb
    CHEMBL58343 chembl
    195497 surechembl
    19647 surechembl
    199 pubchem
    70J407ZL5Q fdasrs
    4127 gtopdb
    PD008916 probes_and_drugs
    21812 brenda
    505 brenda
    95599 brenda
    HMDB0001432 hmdb
    Molport-001-792-881 molport
    85213 bindingdb
    The data in this table is sourced from UniChem at EBI.