ACCESSION: MSBNK-BAFG-CSL2311106634
RECORD_TITLE: Haloxyfop; LC-ESI-QTOF; MS2; 70 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$NAME: Haloxyfop
CH$COMPOUND_CLASS: Herbicide
CH$FORMULA: C₁₅H₁₁ClF₃NO₄
CH$EXACT_MASS: 361.0329
CH$SMILES: CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
CH$IUPAC: InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
CH$LINK: CAS 69806-34-4
CH$LINK: INCHIKEY GOCUAJYOYBLQRH-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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 12.921 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 362.0401
MS$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$SPLASH: splash10-067c-4590000000-a725e696a1cfafe700a3
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  65.0415 2.9 658
  75.0257 0.8 181
  81.0344 0.6 136
  91.0553 3 681
  92.0271 0.6 136
  140.0489 0.8 181
  158.0395 0.8 181
  159.9763 1 227
  168.0415 0.7 158
  179.9816 1.7 385
  180.9876 0.5 113
  188.0273 0.5 113
  189.0354 0.7 158
  190.0451 0.8 181
  197.9899 0.7 158
  198.05 0.6 136
  199.0342 0.8 181
  206.0388 0.8 181
  208.0326 0.6 136
  209.0452 2.2 499
  216.0237 1.5 340
  217.0313 0.4 90
  217.9954 0.5 113
  218.0423 0.6 136
  226.0466 0.5 113
  232.0134 1.1 249
  260.01 0.9 204
  269.9939 0.5 113
  272.0079 1.7 385
  288.005 4.4 999
//