Dataset

Pyrazolynate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000116 contains the MS2 mass spectrum of Pyrazolynate with the InChIkey ASRAWSBMDXVNLX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3
SMILES Cc(c3)ccc(c3)S(=O)(=O)Oc(n(C)2)c(c(C)n2)C(=O)c(c1)c(Cl)cc(Cl)c1
InChI Key ASRAWSBMDXVNLX-UHFFFAOYSA-N
Molecular Formula C19H16Cl2N2O4S
Exact Mass 438.021 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-WA000116
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [4-(2,4-dichlorobenzoyl)-2,5-dimethylpyrazol-3-yl] 4-methylbenzenesulfonate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8657 chebi
    54517 surechembl
    42619 pubchem
    W6095Q94N6 fdasrs
    DTXSID1058133 comptox
    Molport-049-232-593 molport
    The data in this table is sourced from UniChem at EBI.