Dataset

Naproxen

This MassBank record with Accession MSBNK-Athens_Univ-AU265104 contains the MS2 mass spectrum of Naproxen with the InChIkey CMWTZPSULFXXJA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
SMILES	COC1=CC2=CC=C(C=C2C=C1)C(C)C(O)=O
InChI Key	CMWTZPSULFXXJA-UHFFFAOYSA-N
Molecular Formula	C14H14O3
Exact Mass	230.094 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU265104
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:50:17.506479
MetadataModified	2024-01-11T09:50:17.664832
MetadataPublished	2019-05-30

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL12952	ChEMBL
C01517	KEGG Ligand
846543	eMolecules
50009860	BindingDB
91939	ChEBI
CB0239095	ChemicalBook
1302	PubChem
14749324	PubChem: Thomson Pharma
1792	Brenda
PA450595	PharmGKB
PD013333	ProbesDrugs
CB02639112	ChemicalBook
26159-31-9	ACToR
23981-80-8	ACToR
LSM-1880	LINCS
HMDB0245654	Human Metabolome Database
COYRUD	CCDC
MCULE-6293512671	Mcule
SCHEMBL145769	SureChEMBL
J9.289D	Nikkaji
J242.713C	Nikkaji
The data in this table is sourced from UniChem at EBI.