Dataset

TiaprideMet; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002150 contains the MS mass spectrum of TiaprideMet with the InChIkey SMMXTJMPESFCOQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H22N2O4S/c1-4-16(5-2)9-8-15-14(18)12-10-11(21(3,19)20)6-7-13(12)17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,18)
SMILES CCN(CC)CCNC(=O)c(c(O)1)cc(cc1)S(C)(=O)=O
InChI Key SMMXTJMPESFCOQ-UHFFFAOYSA-N
Molecular Formula C14H22N2O4S
Exact Mass 314.130 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-WA002150
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-[2-(diethylamino)ethyl]-2-hydroxy-5-methylsulfonylbenzamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    86135984 pubchem
    DTXSID301346212 comptox
    The data in this table is sourced from UniChem at EBI.