Dataset

PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET140304 contains the MS2 mass spectrum of PAR_146.0966_8.3 with the InChIkey LDYBFSGEBHSTOQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H11N/c1-2-8-11-9-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
SMILES C#CCNCC1=CC=CC=C1
InChI Key LDYBFSGEBHSTOQ-UHFFFAOYSA-N
Molecular Formula C10H11N
Exact Mass 145.089 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-Eawag_Additional_Specs-ET140304
Version
Author
Maintainer
Language
MetadataPublished 2016-03-17
Related Molecule
  • N-benzylprop-2-yn-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1322 chembl
    669952 surechembl
    99277 pubchem
    P8D34H25RW fdasrs
    40889 brenda
    HMDB0244443 hmdb
    Molport-000-942-859 molport
    The data in this table is sourced from UniChem at EBI.