Dataset

PAR_146.0966_8.3; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET140302 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-ET140302
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
    16019972 PubChem: Thomson Pharma
    SCHEMBL669952 SureChEMBL
    99277 PubChem
    1197-51-9 ACToR
    1197208 eMolecules
    ZINC000019312725 ZINC
    40889 Brenda
    CHEMBL1322 ChEMBL
    HMDB0244443 Human Metabolome Database
    J217.039F Nikkaji
    MCULE-8947471605 Mcule
    DTXSID40152552 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.