ACCESSION: MSBNK-BAFG-CSL2311094986
RECORD_TITLE: Fenoxycarb; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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 13.067 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$SPLASH: splash10-000f-9200000000-f670cd52d2b6eca80681
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  41.0403 3.5 26
  42.0448 45.2 346
  43.0502 3.5 26
  44.0597 130.5 999
  45.0065 21.1 161
  55.0242 2 15
  65.0435 42.1 322
  66.0506 5.3 40
  70.0323 8.8 67
  73.0103 1.9 14
  74.0181 12.8 97
  75.0265 8.8 67
  76.0342 6.9 52
  77.0418 73 558
  78.0491 7.3 55
  81.0368 12.8 97
  86.0178 4.5 34
  87.0249 6.9 52
  88.0413 50.7 388
  89.0407 47.1 360
  91.056 33.2 254
  94.042 5.5 42
  98.0151 2.8 21
  99.0233 1.7 13
  101.04 2.2 16
  102.047 16.7 127
  103.0555 1.9 14
  113.0389 8.1 62
  114.0467 2.7 20
  115.0546 45.2 346
  126.046 9.2 70
  127.0543 15.2 116
  128.0619 23.2 177
  137.0396 1.4 10
  138.0463 2.7 20
  139.0543 22.4 171
  150.0452 4.9 37
  151.0553 2.9 22
  152.0618 2.5 19
  163.0546 6.8 52
  164.062 2.1 16
//