Dataset

2-naphthoic acid

This MassBank record with Accession MSBNK-UFZ-UA004804 contains the MS2 mass spectrum of 2-naphthoic acid with the InChIkey UOBYKYZJUGYBDK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
SMILES	C1=CC=C2C=C(C=CC2=C1)C(=O)O
InChI Key	UOBYKYZJUGYBDK-UHFFFAOYSA-N
Molecular Formula	C11H8O2
Exact Mass	172.052 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-UA004804
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:44:00.338981
MetadataModified	2025-02-09T19:49:21.158049
MetadataPublished	2014-06-24
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
7123	PubChem
DTXSID1059078	EPA CompTox Dashboard
ZINC000000391805	ZINC
MTBLC36106	Metabolights
98134	Brenda
75744	Brenda
94472	Brenda
11095	Brenda
16602	Brenda
CB2363217	ChemicalBook
CHEMBL114648	ChEMBL
C14101	KEGG Ligand
15219510	PubChem: Thomson Pharma
93-09-4	ACToR
MCULE-3354461241	Mcule
NAPHAC	CCDC
HMDB0245249	Human Metabolome Database
J10.599F	Nikkaji
485610	eMolecules
10016025	NMRShiftDB
36106	ChEBI
SCHEMBL98296	SureChEMBL
FIV	PDBe
QLG01V0W2L	FDA SRS
The data in this table is sourced from UniChem at EBI.