Dataset

1-Benzylpiperazine; LC-ESI-QTOF; MS2; CE: RAMP 17.2-25.8 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU169406 contains the MS2 mass spectrum of 1-Benzylpiperazine with the InChIkey IQXXEPZFOOTTBA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
SMILES c1ccc(cc1)CN2CCNCC2
InChI Key IQXXEPZFOOTTBA-UHFFFAOYSA-N
Molecular Formula C11H16N2
Exact Mass 176.131 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-AU169406
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MetadataPublished 2016-02-29
Related Molecule
  • 1-benzylpiperazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000022916607 ZINC
    20201367 NMRShiftDB
    75994 PubChem
    MCULE-1144586968 Mcule
    SCHEMBL83548 SureChEMBL
    3UG152ZU0E FDA SRS
    14794075 PubChem: Thomson Pharma
    PD093542 ProbesDrugs
    481048 eMolecules
    CHEMBL113600 ChEMBL
    CB92129672 ChemicalBook
    DTXSID0022197 EPA CompTox Dashboard
    J149.807J Nikkaji
    50004308 BindingDB
    HMDB0243838 Human Metabolome Database
    83537 ChEBI
    The data in this table is sourced from UniChem at EBI.