Dataset

Salicylic acid

This MassBank record with Accession MSBNK-Waters-WA000473 contains the MS mass spectrum of Salicylic acid with the InChIkey YGSDEFSMJLZEOE-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
SMILES	OC(=O)c(c1)c(O)ccc1
InChI Key	YGSDEFSMJLZEOE-UHFFFAOYSA-N
Molecular Formula	C7H6O3
Exact Mass	138.032 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-WA000473
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:50:52.546033
MetadataModified	2024-01-11T22:50:52.706770
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL424	ChEMBL
DB00936	DrugBank
16914	ChEBI
SAL	PDBe
C00805	KEGG Ligand
478035	eMolecules
14747739	PubChem: Thomson Pharma
69-72-7	ACToR
LSM-4763	LINCS
O414PZ4LPZ	FDA SRS
salicylic acid	Atlas
PD001758	ProbesDrugs
4306	Guide to Pharmacology
SALIAC	CCDC
SCHEMBL1967	SureChEMBL
10008793	NMRShiftDB
MCULE-8407868694	Mcule
J2.370A	Nikkaji
HY-B0167	MedChemExpress
118212070	PubChem
DTXSID7026368	EPA CompTox Dashboard
2416	DrugCentral
ZINC000000001554	ZINC
26193	BindingDB
SALICYLIC ACID	DailyMed
FREEZONE	rxnorm
SALICYLIC ACID	rxnorm
STRI-DEX	rxnorm
DUOFILM	rxnorm
KERALYT	rxnorm
DUOPLANT	rxnorm
SALICYLATE	rxnorm
SALICYLIC ACID	clinicaltrials
COMPOUND W	clinicaltrials
SCHEMBL16880297	SureChEMBL
CB1680010	ChemicalBook
HMDB0001895	Human Metabolome Database
24601	Brenda
47420	Brenda
21658	Brenda
765	Brenda
90999	Brenda
5097	Brenda
617	Brenda
MTBLC16914	Metabolights
145569	Brenda
PA451299	PharmGKB
338	PubChem
salicylic acid	DailyMed
The data in this table is sourced from UniChem at EBI.