Dataset

1,8-diaminopyrene

This MassBank record with Accession MSBNK-UFZ-UA002701 contains the MS2 mass spectrum of 1,8-diaminopyrene with the InChIkey BLYOXQBERINFDU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12N2/c17-13-7-3-9-1-2-10-4-8-14(18)12-6-5-11(13)15(9)16(10)12/h1-8H,17-18H2
SMILES c4cc2ccc1ccc(N)c3c1c2c(cc3)c4N
InChI Key BLYOXQBERINFDU-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-UA002701
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:45:25.966625
MetadataModified 2025-02-09T19:47:47.131043
MetadataPublished 2014-06-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002512234 ZINC
DTXSID40184358 EPA CompTox Dashboard
J382.978B Nikkaji
SCHEMBL867279 SureChEMBL
6880875 eMolecules
30269-04-6 ACToR
169139 PubChem
The data in this table is sourced from UniChem at EBI.