ACCESSION: MSBNK-BAFG-CSL23111015986
RECORD_TITLE: Prallethrin; LC-ESI-QTOF; MS2; 20 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Prallethrin
CH$COMPOUND_CLASS: Insecticide
CH$FORMULA: C₁₉H₂₄O₃
CH$EXACT_MASS: 300.1725
CH$SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
CH$IUPAC: InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3
CH$LINK: CAS 23031-36-9
CH$LINK: INCHIKEY SMKRKQBMYOFFMU-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 14.861 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 301.1798
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-05ai-0900000000-4d4fc0795f4cc3130ad0
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  55.0183 5.2 35
  69.0703 7.8 52
  77.0387 3.7 24
  79.0546 10.3 69
  81.0703 6.9 46
  83.0857 3 20
  91.0547 1.7 11
  95.0858 2.4 16
  101.0603 2 13
  103.0543 6.2 41
  105.0704 105.9 713
  107.0861 1.8 12
  109.0648 3.5 23
  109.102 2.4 16
  113.0599 5.4 36
  115.0539 4.4 29
  121.101 10.5 70
  123.1174 134 902
  133.0652 148.3 999
  135.0806 2.5 16
  139.1121 2.6 17
  149.0963 9.1 61
  151.1124 54.6 367
  157.1013 1.8 12
  167.1063 5.3 35
  169.1225 37.3 251
  199.112 6 40
  213.129 2.2 14
  213.1646 1.9 12
  255.1764 4.5 30
  283.1688 2.6 17
  301.1797 4.3 28
//