ACCESSION: MSBNK-AGILENT-AG000023
RECORD_TITLE: Pyraclostrobin; ESI-QTOF; MS2; CE: 40; [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 40

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

PK$SPLASH: splash10-06si-0900000000-e4644ca4de472a3ba1e6
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  45.033491 13.172775 131
  47.049141 1.2896 12
  55.054227 1.403621 14
  59.012756 2.214436 22
  65.038577 1.698781 16
  75.044056 1.467973 14
  77.038577 10.470272 104
  78.044209 3.65827 36
  79.054227 2.626612 26
  91.041651 1.232967 12
  91.054227 13.241102 132
  92.049476 2.149076 21
  93.057301 1.010548 10
  101.059706 1.594685 15
  102.033826 1.505774 15
  104.049476 36.665065 366
  105.033491 1.404571 14
  105.057301 89.501081 894
  106.029227 1.598496 15
  106.065126 13.301285 132
  107.047799 1.258861 12
  107.072951 4.294676 42
  108.04439 1.577593 15
  109.064791 1.132458 11
  110.999604 3.29894 32
  116.049476 4.526053 45
  117.057301 5.113266 51
  118.065126 7.839605 78
  119.036565 28.727918 286
  119.070271 2.18966 21
  120.04439 38.27714 382
  121.049535 2.686761 26
  121.063449 12.717756 127
  122.068594 1.221376 12
  128.049476 6.673958 66
  129.057301 2.632033 26
  130.02874 5.06752 50
  132.04439 45.799706 457
  133.052215 100 999
  134.023655 5.007671 50
  134.05736 17.76618 177
  135.065185 1.898819 18
  148.039305 6.751158 67
  149.04713 70.905553 708
  150.050932 4.890244 48
  151.06278 1.194838 11
  162.054955 25.74315 257
  163.06278 87.692737 876
  164.066582 8.783867 87
  204.078583 1.736775 17
  218.08385 3.489243 34
  219.089482 1.524269 15
  232.084244 1.24049 12
  233.092556 1.332934 13
  243.078249 3.010418 30
  253.050022 3.613897 36
  261.088813 1.514015 15
  296.055836 1.728976 17
//