Dataset

1,3-diaminopyrene; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA002603 contains the MS2 mass spectrum of 1,3-diaminopyrene with the InChIkey WOFKFNZIJZWWPZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12N2/c17-13-8-14(18)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H,17-18H2
SMILES c1cc2ccc3c(cc(c4c3c2c(c1)cc4)N)N
InChI Key WOFKFNZIJZWWPZ-UHFFFAOYSA-N
Molecular Formula C16H12N2
Exact Mass 232.100 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-UFZ-UA002603
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MetadataPublished 2014-06-24
Related Molecule
  • pyrene-1,3-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL4018577 SureChEMBL
    6886318 eMolecules
    ZINC000002512218 ZINC
    J382.977D Nikkaji
    DTXSID90532860 EPA CompTox Dashboard
    13262724 PubChem
    The data in this table is sourced from UniChem at EBI.