Dataset

Anthranilic acid

This MassBank record with Accession MSBNK-BS-BS003073 contains the MS mass spectrum of Anthranilic acid with the InChIkey RWZYAGGXGHYGMB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
SMILES	C1(=C(C(=C(C(=C1[H])C(=O)O[H])N([H])[H])[H])[H])[H]
InChI Key	RWZYAGGXGHYGMB-UHFFFAOYSA-N
Molecular Formula	C7H7NO2
Exact Mass	137.048 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003073
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:33:01.499222
MetadataModified	2024-01-11T12:33:01.679722
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C00108	KEGG Ligand
30754	ChEBI
BE2	PDBe
CHEMBL14173	ChEMBL
DB04166	DrugBank
ZINC000000047985	ZINC
DTXSID8020094	EPA CompTox Dashboard
50376751	BindingDB
J2.912B	Nikkaji
AMBACO	CCDC
227	PubChem
MCULE-8970106555	Mcule
478088	eMolecules
90994	Brenda
13352	Brenda
50159	Brenda
4198	Brenda
2263	Brenda
MTBLC30754	Metabolights
5464	Brenda
10008784	NMRShiftDB
HMDB0001123	Human Metabolome Database
474	Brenda
74338	Brenda
PD006518	ProbesDrugs
0YS975XI6W	FDA SRS
118-92-3	ACToR
15146682	PubChem: Thomson Pharma
SCHEMBL675	SureChEMBL
1321-11-5	ACToR
The data in this table is sourced from UniChem at EBI.