Dataset

Methyl 4-hydroxybenzoate

This MassBank record with Accession MSBNK-Athens_Univ-AU505003 contains the MS2 mass spectrum of Methyl 4-hydroxybenzoate with the InChIkey LXCFILQKKLGQFO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
SMILES	COC(=O)C1=CC=C(C=C1)O
InChI Key	LXCFILQKKLGQFO-UHFFFAOYSA-N
Molecular Formula	C8H8O3
Exact Mass	152.047 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-AU505003
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:48:15.387048
MetadataModified	2024-01-11T09:48:15.563339
MetadataPublished	2021-04-20

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
7456	PubChem
PD001581	ProbesDrugs
14772312	PubChem: Thomson Pharma
99-76-3	ACToR
A2I8C7HI9T	FDA SRS
91708	Brenda
25453	Brenda
54718	Brenda
62700	Brenda
HMDB0032572	Human Metabolome Database
CB0184566	ChemicalBook
methylparaben	DailyMed
DB14212	DrugBank
MTBLC31835	Metabolights
31835	ChEBI
10008850	NMRShiftDB
MCULE-5368262482	Mcule
513564	eMolecules
CHEMBL325372	ChEMBL
MPB	PDBe
6273	Guide to Pharmacology
SCHEMBL4440	SureChEMBL
J3.996I	Nikkaji
CEBGOF	CCDC
ZINC000000001712	ZINC
1766	DrugCentral
DTXSID4022529	EPA CompTox Dashboard
METHYLPARABEN	DailyMed
METHYLPARABEN SODIUM	rxnorm
METHYLPARABEN	rxnorm
METHYL PARAHYDROXYBENZOATE	clinicaltrials
METHYLPARABEN	clinicaltrials
METHYLPARABEN SODIUM	clinicaltrials
E-218	clinicaltrials
50209100	BindingDB
HY-N0349	MedChemExpress
The data in this table is sourced from UniChem at EBI.