Dataset

Toloxatone; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000462 contains the MS mass spectrum of Toloxatone with the InChIkey MXUNKHLAEDCYJL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
SMILES OCC(O2)CN(C(=O)2)c(c1)cc(C)cc1
InChI Key MXUNKHLAEDCYJL-UHFFFAOYSA-N
Molecular Formula C11H13NO3
Exact Mass 207.090 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-WA000462
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB09245 DrugBank
    J21.701H Nikkaji
    50110725 BindingDB
    TOLOXATONE rxnorm
    2702 DrugCentral
    156575 ChEBI
    HY-14196 MedChemExpress
    5T206015T5 FDA SRS
    12013317 PubChem: Drugs of the Future
    CHEMBL18116 ChEMBL
    DTXSID40865478 EPA CompTox Dashboard
    CB8752750 ChemicalBook
    41164 Brenda
    6843496 eMolecules
    PD008985 ProbesDrugs
    29218-27-7 ACToR
    34521 PubChem
    14773219 PubChem: Thomson Pharma
    SCHEMBL49437 SureChEMBL
    The data in this table is sourced from UniChem at EBI.