ACCESSION: MSBNK-BAFG-CSL2311094988
RECORD_TITLE: Fenoxycarb; LC-ESI-QTOF; MS2; 150 V
DATE: 2023.11.09
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$NAME: Fenoxycarb
CH$COMPOUND_CLASS: Insecticide
CH$FORMULA: C₁₇H₁₉NO₄
CH$EXACT_MASS: 301.1314
CH$SMILES: CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1
CH$IUPAC: InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
CH$LINK: CAS 72490-01-8
CH$LINK: INCHIKEY HJUFTIJOISQSKQ-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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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 13.067 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 302.1387
MS$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$SPLASH: splash10-0006-9100000000-3263ca4bce22852b69ab
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  41.0399 3.2 33
  42.0444 42.1 444
  43.0519 4 42
  44.0206 2.1 22
  44.0594 94.7 999
  45.0064 23.6 248
  55.0217 1.3 13
  60.0065 2 21
  65.0432 30 316
  66.0514 3.2 33
  70.0325 2.9 30
  73.0116 2 21
  74.0189 18.6 196
  75.026 10.7 112
  76.0337 6.2 65
  77.0415 42.6 449
  78.0484 4.6 48
  81.0358 4.6 48
  85.0102 3.8 40
  86.0173 8.8 92
  87.0249 7.8 82
  88.0406 10.5 110
  89.0404 28.4 299
  91.0559 12.9 136
  94.0435 1.8 18
  98.0158 4.9 51
  99.0233 1.5 15
  101.0377 1.5 15
  102.0457 9 94
  110.015 1.5 15
  113.0392 6.7 70
  114.0487 1.5 15
  115.0539 12.5 131
  126.0458 4.9 51
  127.0546 5 52
  128.0614 6.7 70
  137.0395 1.9 20
  138.0486 2 21
  139.0543 7.2 75
  150.0468 2.8 29
  151.0544 1.3 13
  163.0541 3 31
//