Dataset

Naproxen

This MassBank record with Accession MSBNK-UFZ-UF406602 contains the MS2 mass spectrum of Naproxen with the InChIkey CMWTZPSULFXXJA-UHFFFAOYSA-N.

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF406602
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:02:22.046440
MetadataModified 2025-02-09T19:48:28.690478
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
COYRUD CCDC
HMDB0245654 Human Metabolome Database
J242.713C Nikkaji
J9.289D Nikkaji
91939 ChEBI
50009860 BindingDB
CB0239095 ChemicalBook
14749324 PubChem: Thomson Pharma
1302 PubChem
CHEMBL12952 ChEMBL
C01517 KEGG Ligand
PD013333 ProbesDrugs
CB02639112 ChemicalBook
26159-31-9 ACToR
23981-80-8 ACToR
LSM-1880 LINCS
846543 eMolecules
MCULE-6293512671 Mcule
SCHEMBL145769 SureChEMBL
PA450595 PharmGKB
1792 Brenda
The data in this table is sourced from UniChem at EBI.