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MassBank Record: MSBNK-AGILENT-AG000033

Metazachlor; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-AGILENT-AG000033
RECORD_TITLE: Metazachlor; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Metazachlor
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H16ClN3O
CH$EXACT_MASS: 277.09819
CH$SMILES: CC1C=CC=C(C)C=1N(CN1C=CC=N1)C(=O)CCl
CH$IUPAC: InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
CH$LINK: CAS 67129-08-2
CH$LINK: CHEMSPIDER 44885
CH$LINK: INCHIKEY STEPQTYSZVCJPV-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 278.1054663166
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03e9-0690000000-6b76da6fec598db53195
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  134.096426 79.196981 791
  210.068018 100 999
  278.105466 4.784605 47
//

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