Dataset

Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT203210 contains the MS2 mass spectrum of Sodium 4-hydroxy-benzoate, p-Hydroxybenzoic acid sodium salt, Hydroxybenzenecarboxylic acid, 4-hydroxybenzoic acid, 4-Hydroxybenzoic acid sodium salt with the InChIkey FJKROLUGYXJWQN-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
SMILES	C1=CC(=CC=C1C(=O)O)O
InChI Key	FJKROLUGYXJWQN-UHFFFAOYSA-N
Molecular Formula	C7H6O3
Exact Mass	138.122 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-RIKEN_ReSpect-PT203210
Version
Author
Maintainer
Language
MetadataCreated	2024-01-15T12:00:45.025337
MetadataModified	2024-01-15T12:00:45.240045
MetadataPublished	2008-07-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL441343	ChEMBL
DB04242	DrugBank
30763	ChEBI
PHB	PDBe
12015603	PubChem: Drugs of the Future
C00156	KEGG Ligand
490868	eMolecules
ZINC000000332752	ZINC
26194	BindingDB
DTXSID3026647	EPA CompTox Dashboard
HY-Y0264	MedChemExpress
4-HYDROXYBENZOIC ACID	rxnorm
CB1412080	ChemicalBook
HMDB0000500	Human Metabolome Database
3660	Brenda
1858	Brenda
365	Brenda
43427	Brenda
3394	Brenda
MTBLC30763	Metabolights
3702506	PubChem
PD006469	ProbesDrugs
14891552	PubChem: Thomson Pharma
99-96-7	ACToR
JG8Z55Y12H	FDA SRS
J43.201F	Nikkaji
JOZZIH	CCDC
SCHEMBL4110	SureChEMBL
MCULE-1367764897	Mcule
10024827	NMRShiftDB
135	PubChem
The data in this table is sourced from UniChem at EBI.