Dataset

1-Naphthaleneacetic acid

This MassBank record with Accession MSBNK-Waters-WA000168 contains the MS2 mass spectrum of 1-Naphthaleneacetic acid with the InChIkey PRPINYUDVPFIRX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
SMILES	OC(=O)Cc(c1)c(c2)c(ccc2)cc1
InChI Key	PRPINYUDVPFIRX-UHFFFAOYSA-N
Molecular Formula	C12H10O2
Exact Mass	186.068 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000168
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:38:12.626658
MetadataModified	2025-02-09T20:24:34.401856
MetadataPublished	2016-01-19
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-18570	MedChemExpress
12284	Brenda
DTXSID8020915	EPA CompTox Dashboard
50022186	BindingDB
J4.267F	Nikkaji
NAPACA	CCDC
ZINC000000391809	ZINC
104252	Brenda
C13014	KEGG Ligand
DB01750	DrugBank
CHEMBL428495	ChEMBL
32918	ChEBI
NLA	PDBe
14843290	PubChem: Thomson Pharma
60025470	NMRShiftDB
PD008449	ProbesDrugs
33T7G7757C	FDA SRS
naphthalene-1-acetic acid	Atlas
26445-01-2	ACToR
86-87-3	ACToR
SCHEMBL35925	SureChEMBL
61913-11-9	ACToR
naphthalene-1-acetic	Atlas
497102	eMolecules
HMDB0032708	Human Metabolome Database
CB4679844	ChemicalBook
94471	Brenda
16590	Brenda
38549	Brenda
147626	Brenda
123046	Brenda
6862	PubChem
MCULE-1244884723	Mcule
The data in this table is sourced from UniChem at EBI.