ACCESSION: MSBNK-AGILENT-AG000024
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Pyraclostrobin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₁₈ClN₃O₄
CH$EXACT_MASS: 387.09858
CH$SMILES: CON(C(=O)OC)C1=CC=CC=C1COC1C=CN(N=1)C1C=CC(Cl)=CC=1
CH$IUPAC: InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
CH$LINK: CAS 175013-18-0
CH$LINK: CHEMSPIDER 4928348
CH$LINK: INCHIKEY HZRSNVGNWUDEFX-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$FOCUSED_ION: PRECURSOR_M/Z 388.1058602473
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03dl-0910000000-19ae9ba43525184ed026
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  45.033491 3.159514 31
  105.057301 1.378898 13
  118.065126 2.526941 25
  128.049476 1.050829 10
  129.053278 1.36079 13
  132.04439 3.411845 34
  133.052215 2.706762 27
  134.06004 5.136259 51
  149.04713 7.212241 72
  156.042197 1.051846 10
  162.054955 13.466335 134
  163.06278 50.232015 501
  164.070605 58.0324 579
  165.074407 4.437992 44
  166.086255 1.857459 18
  194.08117 100 999
  195.080929 7.952586 79
  216.06552 1.009861 10
  261.088813 1.086515 10
  296.058029 26.67544 266
  297.063661 4.171681 41
  298.05891 1.313255 13
  324.053431 4.804116 47
  356.079645 5.772018 57
  357.087471 1.694211 16
  388.10586 10.924063 109
//