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

molecular Image
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

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 2025-02-09T20:13:37.171744
MetadataPublished 2016-01-19
Related Molecule
  • 2-hydroxybenzoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14747739 PubChem: Thomson Pharma
    69-72-7 ACToR
    LSM-4763 LINCS
    O414PZ4LPZ FDA SRS
    salicylic acid Atlas
    PD001758 ProbesDrugs
    478035 eMolecules
    salicylic acid DailyMed
    CB1680010 ChemicalBook
    HMDB0001895 Human Metabolome Database
    145569 Brenda
    24601 Brenda
    47420 Brenda
    90999 Brenda
    21658 Brenda
    765 Brenda
    5097 Brenda
    617 Brenda
    MTBLC16914 Metabolights
    MCULE-8407868694 Mcule
    10008793 NMRShiftDB
    SCHEMBL1967 SureChEMBL
    DB00936 DrugBank
    C00805 KEGG Ligand
    CHEMBL424 ChEMBL
    16914 ChEBI
    SAL PDBe
    PA451299 PharmGKB
    338 PubChem
    SALICYLIC ACID DailyMed
    26193 BindingDB
    SALICYLIC ACID rxnorm
    STRI-DEX rxnorm
    DUOFILM rxnorm
    KERALYT rxnorm
    DUOPLANT rxnorm
    SALICYLATE rxnorm
    SALICYLIC ACID clinicaltrials
    COMPOUND W clinicaltrials
    HY-B0167 MedChemExpress
    SCHEMBL16880297 SureChEMBL
    118212070 PubChem
    DTXSID7026368 EPA CompTox Dashboard
    2416 DrugCentral
    ZINC000000001554 ZINC
    4306 Guide to Pharmacology
    J2.370A Nikkaji
    SALIAC CCDC
    FREEZONE rxnorm
    The data in this table is sourced from UniChem at EBI.