Dataset

Paichongding; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128911 contains the MS2 mass spectrum of Paichongding with the InChIkey MOTGVPXRLDDMSK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H23ClN4O3/c1-3-8-25-15-9-12(2)16(22(23)24)17-20(6-7-21(15)17)11-13-4-5-14(18)19-10-13/h4-5,10,12,15H,3,6-9,11H2,1-2H3
SMILES CCCOC1CC(C(=C2N1CCN2CC3=CN=C(C=C3)Cl)[N+](=O)[O-])C
InChI Key MOTGVPXRLDDMSK-UHFFFAOYSA-N
Molecular Formula C17H23ClN4O3
Exact Mass 366.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01128911
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MetadataPublished 2023-04-27
Related Molecule
  • 1-[(6-chloropyridin-3-yl)methyl]-7-methyl-8-nitro-5-propoxy-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    44571837 PubChem
    123103836 PubChem: Thomson Pharma
    SCHEMBL255346 SureChEMBL
    CHEMBL519270 ChEMBL
    DTXSID9058498 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.