Dataset

Dodecylguanidine; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01123907 contains the MS2 mass spectrum of Dodecylguanidine with the InChIkey HILAYQUKKYWPJW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H29N3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15/h2-12H2,1H3,(H4,14,15,16)
SMILES CCCCCCCCCCCCN=C(N)N
InChI Key HILAYQUKKYWPJW-UHFFFAOYSA-N
Molecular Formula C13H29N3
Exact Mass 227.236 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-Eawag-EQ01123907
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Maintainer
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MetadataPublished 2023-04-27
Related Molecule
  • 2-dodecylguanidine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL74474 ChEMBL
    ZINC000001666747 ZINC
    DTXSID8041907 EPA CompTox Dashboard
    J56.150I Nikkaji
    20208776 NMRShiftDB
    SCHEMBL21643 SureChEMBL
    74880 ChEBI
    8204 PubChem
    16387210 PubChem: Thomson Pharma
    112-65-2 ACToR
    RNB1NU2RGG FDA SRS
    30283983 eMolecules
    The data in this table is sourced from UniChem at EBI.