ACCESSION: MSBNK-AGILENT-AG000031
RECORD_TITLE: Metazachlor; ESI-QTOF; MS2; CE: 40; [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 40

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

PK$SPLASH: splash10-001i-0900000000-8fb53877ae8d1f0c5b55
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  76.978869 2.194033 21
  77.038577 3.819723 38
  79.054227 6.591726 65
  103.054227 3.551273 35
  105.069877 35.778034 357
  106.077702 1.201679 12
  107.085527 1.784908 17
  132.080776 1.452167 14
  134.096426 100 999
//