Dataset

1,3-diaminopyrene

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

Chemical Info

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
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:47:56.695104
MetadataModified 2025-02-09T19:48:43.452638
MetadataPublished 2014-06-24
Related Molecule
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.