Dataset

1-Hydroxy-2-naphthoate

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100526_B8BB contains the MS2 mass spectrum of 1-Hydroxy-2-naphthoate with the InChIkey SJJCQDRGABAVBB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
SMILES	C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O
InChI Key	SJJCQDRGABAVBB-UHFFFAOYSA-N
Molecular Formula	C11H8O3
Exact Mass	188.047 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100526_B8BB
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:21.808459
MetadataModified	2024-01-11T09:30:21.987762
MetadataPublished	2022-04-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C03203	KEGG Ligand
1HN	PDBe
CHEMBL229299	ChEMBL
478510	eMolecules
20096906	NMRShiftDB
42611	Brenda
18190	Brenda
15445	Brenda
2064	Brenda
MTBLC36108	Metabolights
CB6317591	ChemicalBook
50219487	BindingDB
HY-W016103	MedChemExpress
DTXSID5058937	EPA CompTox Dashboard
ZINC000000037856	ZINC
PD054433	ProbesDrugs
U8LZ3R07L8	FDA SRS
86-48-6	ACToR
SCHEMBL25244	SureChEMBL
14818595	PubChem: Thomson Pharma
J4.260I	Nikkaji
6844	PubChem
36108	ChEBI
MCULE-9774378658	Mcule
HMDB0243892	Human Metabolome Database
XNAPAC	CCDC
The data in this table is sourced from UniChem at EBI.