Dataset

Propoxycarbazone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU252801 contains the MS2 mass spectrum of Propoxycarbazone with the InChIkey JTHMVYBOQLDDIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
SMILES CCCOC1=NN(C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C(=O)N1C
InChI Key JTHMVYBOQLDDIY-UHFFFAOYSA-N
Molecular Formula C15H18N4O7S
Exact Mass 398.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU252801
Version
Author
Maintainer
Language
MetadataPublished 2019-05-29
Related Molecule
  • methyl 2-[(4-methyl-5-oxo-3-propoxy-1,2,4-triazole-1-carbonyl)sulfamoyl]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1882497 ChEMBL
    J1.510.088E Nikkaji
    6R4 PDBe
    DTXSID8037704 EPA CompTox Dashboard
    206241 Brenda
    177355 PubChem
    161W380R06 FDA SRS
    SCHEMBL115728 SureChEMBL
    145026-81-9 ACToR
    16453956 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.