Dataset

N-Methyldodecylamine; LC-ESI-QTOF; MS2; CE: Ramp 18.0-27.0 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU285006 contains the MS2 mass spectrum of N-Methyldodecylamine with the InChIkey OMEMQVZNTDHENJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
SMILES CCCCCCCCCCCCNC
InChI Key OMEMQVZNTDHENJ-UHFFFAOYSA-N
Molecular Formula C13H29N
Exact Mass 199.230 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-Athens_Univ-AU285006
Version
Author
Maintainer
Language
MetadataPublished 2019-05-31
Related Molecule
  • N-methyldodecan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    81746 PubChem
    510867 eMolecules
    7311-30-0 ACToR
    15923760 PubChem: Thomson Pharma
    88NN43I94S FDA SRS
    CHEMBL4763115 ChEMBL
    SCHEMBL22876 SureChEMBL
    J45.998D Nikkaji
    ZINC000001649055 ZINC
    MCULE-6157278006 Mcule
    DTXSID90223387 EPA CompTox Dashboard
    CB7738704 ChemicalBook
    The data in this table is sourced from UniChem at EBI.