ACCESSION: MSBNK-BAFG-CSL23111016155
RECORD_TITLE: Dimoxystrobin; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-03di-9000000000-bbf423fae31b78cd02df
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  36.0002 1.5 15
  37.0079 7.1 72
  38.0157 4.4 44
  39.0239 20.8 211
  41.0395 1.6 16
  49.0075 1.5 15
  50.0157 5.8 58
  51.0237 7.6 77
  58.0294 18.5 188
  60.0001 2.1 21
  61.008 15.2 154
  62.0159 34.4 349
  63.0237 98.3 999
  64.0189 18.3 185
  64.0306 1.6 16
  65.0386 5.7 57
  74.0158 2.5 25
  75.0114 1 10
  75.0233 2.2 22
  76.0185 1.6 16
  76.0313 1.1 11
  77.0389 6.1 61
  87.0116 1.2 12
  88.0187 3.1 31
  89.0392 54.4 552
  90.034 3.7 37
  90.0469 4.6 46
  91.0554 1.8 18
  114.0337 1.2 12
  115.0544 1.2 12
  116.0497 2.1 21
  139.055 2.1 21
  150.0465 3.4 34
  151.054 3.6 36
  152.0626 3 30
  163.0549 3 30
  164.0615 2.1 21
  165.0707 1.8 18
  176.0624 2.6 26
  189.0699 1.6 16
//