Dataset

N,N-Diethyl-p-phenylenediamine; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00398005 contains the MS2 mass spectrum of N,N-Diethyl-p-phenylenediamine with the InChIkey QNGVNLMMEQUVQK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
SMILES CCN(CC)C1=CC=C(C=C1)N
InChI Key QNGVNLMMEQUVQK-UHFFFAOYSA-N
Molecular Formula C10H16N2
Exact Mass 164.131 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-EQ00398005
Version
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    7120 PubChem
    222106 Brenda
    0QQA4DFV2J FDA SRS
    SCHEMBL33781 SureChEMBL
    93-05-0 ACToR
    15219426 PubChem: Thomson Pharma
    476756 eMolecules
    ZINC000000388427 ZINC
    CB0690920 ChemicalBook
    MCULE-5614671566 Mcule
    20208536 NMRShiftDB
    CHEMBL1452158 ChEMBL
    50117 Brenda
    DTXSID2025058 EPA CompTox Dashboard
    89017 BindingDB
    HMDB0247663 Human Metabolome Database
    J28.419J Nikkaji
    The data in this table is sourced from UniChem at EBI.