Dataset

Metformin; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF412401 contains the MS2 mass spectrum of Metformin with the InChIkey XZWYZXLIPXDOLR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
SMILES CN(C)C(=N)NC(N)=N
InChI Key XZWYZXLIPXDOLR-UHFFFAOYSA-N
Molecular Formula C4H11N5
Exact Mass 129.101 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-UFZ-UF412401
Version
Author
Maintainer
Language
MetadataPublished 2017-01-05
Related Molecule
  • 3-(diaminomethylidene)-1,1-dimethylguanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00331 drugbank
    CHEBI:6801 chebi
    MF8 rcsb_pdb
    CHEMBL1431 chembl
    10325534 surechembl
    8944 surechembl
    8945 surechembl
    9913821 surechembl
    152743144 pubchem
    155906370 pubchem
    4091 pubchem
    9100L32L2N fdasrs
    4503 gtopdb
    4779 gtopdb
    PD010095 probes_and_drugs
    UVIGAK CCDC
    HMDB0001921 hmdb
    Molport-002-929-560 molport
    1725 drugcentral
    50229665 bindingdb
    57047 bindingdb
    The data in this table is sourced from UniChem at EBI.