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
Language
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
    CHEBI:156575 chebi
    CHEMBL18116 chembl
    29394786 surechembl
    49437 surechembl
    34521 pubchem
    5T206015T5 fdasrs
    PD008985 probes_and_drugs
    41164 brenda
    50100690 bindingdb
    50111842 bindingdb
    50297908 bindingdb
    50311497 bindingdb
    50311500 bindingdb
    50351482 bindingdb
    50465414 bindingdb
    50694055 bindingdb
    50711788 bindingdb
    50711805 bindingdb
    50810030 bindingdb
    50810033 bindingdb
    50826651 bindingdb
    50888159 bindingdb
    50968742 bindingdb
    50968755 bindingdb
    51008461 bindingdb
    51008483 bindingdb
    51113321 bindingdb
    51145451 bindingdb
    51194975 bindingdb
    51219491 bindingdb
    51223493 bindingdb
    51226462 bindingdb
    51310583 bindingdb
    51489832 bindingdb
    51494408 bindingdb
    51506708 bindingdb
    51509823 bindingdb
    Molport-006-125-773 molport
    2702 drugcentral
    The data in this table is sourced from UniChem at EBI.