ACCESSION: MSBNK-BAFG-CSL23111016154
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 150 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$NAME: Dimoxystrobin
CH$COMPOUND_CLASS: Fungicide
CH$FORMULA: C₁₉H₂₂N₂O₃
CH$EXACT_MASS: 326.163
CH$SMILES: CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2C(=NOC)C(=O)NC
CH$IUPAC: InChI=1S/C19H22N2O3/c1-13-9-10-14(2)17(11-13)24-12-15-7-5-6-8-16(15)18(21-23-4)19(22)20-3/h5-11H,12H2,1-4H3,(H,20,22)
CH$LINK: CAS 149961-52-4
CH$LINK: INCHIKEY WXUZAHCNPWONDH-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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 13.184 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 327.1703
MS$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$SPLASH: splash10-03di-9000000000-b82f0c8048be87577067
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  36.0006 1.8 26
  37.008 9.4 137
  38.0158 5.6 81
  39.0239 18.6 271
  41.0391 0.7 10
  49.0074 2.4 35
  50.0158 8.3 121
  51.0237 8 116
  58.0298 7 102
  60.0004 3 43
  61.008 18.7 273
  62.0157 39.9 582
  63.0238 68.4 999
  64.0189 14.9 217
  64.0309 0.9 13
  65.0384 3 43
  74.0155 4.1 59
  75.0103 1.9 27
  75.0233 2.6 37
  76.0194 1 14
  76.031 0.7 10
  77.039 4.2 61
  86.0159 1.3 18
  87.011 1.1 16
  87.0228 1.5 21
  88.0194 1.3 18
  89.0391 23.5 343
  90.0345 1.7 24
  90.0467 0.9 13
  102.0456 0.8 11
  115.0552 1.1 16
  126.0464 0.8 11
  139.053 1.5 21
  150.0466 2.4 35
  151.0535 1.3 18
  152.0631 1 14
  163.0541 3.4 49
  164.0615 0.7 10
  165.0705 0.8 11
  176.0608 1.6 23
//