Dataset

1-hydroxypyrene

This MassBank record with Accession MSBNK-UFZ-UA004402 contains the MS2 mass spectrum of 1-hydroxypyrene with the InChIkey BIJNHUAPTJVVNQ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
SMILES	Oc4ccc2ccc1cccc3c1c2c4cc3
InChI Key	BIJNHUAPTJVVNQ-UHFFFAOYSA-N
Molecular Formula	C16H10O
Exact Mass	218.073 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UA004402
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:44:55.538219
MetadataModified	2025-02-09T19:48:35.879569
MetadataPublished	2014-06-24
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J353.424C	Nikkaji
253284	Brenda
CHEMBL3184813	ChEMBL
HY-W014075	MedChemExpress
LIXQIV	CCDC
HMDB0013139	Human Metabolome Database
34093	ChEBI
ZINC000001661473	ZINC
DTXSID1038298	EPA CompTox Dashboard
C14519	KEGG Ligand
SCHEMBL218996	SureChEMBL
14773487	PubChem: Thomson Pharma
N2H6O5V707	FDA SRS
5315-79-7	ACToR
63021-84-1	ACToR
PD158310	ProbesDrugs
500885	eMolecules
27521017	eMolecules
13788	Brenda
CB4277026	ChemicalBook
32014	Brenda
136079	Brenda
21387	PubChem
The data in this table is sourced from UniChem at EBI.