ACCESSION: MSBNK-AGILENT-AG000022
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 20; [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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 388.1058602473
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-0900000000-3e9e3e9bd807af1a557a
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  45.033491 6.639738 66
  75.044056 1.050749 10
  91.054227 1.219908 12
  104.049476 2.724865 27
  105.057301 4.125146 41
  106.065126 1.585539 15
  118.065126 3.55619 35
  119.036565 3.083503 30
  120.04439 1.741191 17
  128.049476 3.305142 33
  129.054621 1.486718 14
  132.04439 9.025796 90
  133.052215 13.030095 130
  134.06004 11.27906 112
  135.065185 1.147747 11
  149.04713 25.174513 251
  150.050932 1.805589 18
  156.042197 1.437841 14
  162.054955 17.466799 174
  163.06278 100 999
  164.070605 51.268782 512
  165.074407 3.794185 37
  166.086255 2.007597 20
  179.057695 1.473126 14
  194.08117 17.645825 176
  195.080929 1.538917 15
  253.050022 1.039195 10
  261.088813 2.310123 23
  296.058029 13.359876 133
  297.063661 2.224126 22
  324.053431 2.087492 20
//