ACCESSION: MSBNK-BAFG-CSL2311094982
RECORD_TITLE: Fenoxycarb; LC-ESI-QTOF; MS2; 140 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$MASS_SPECTROMETRY: COLLISION_ENERGY 140
AC$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$SPLASH: splash10-0006-9200000000-dbfccdeff56d7f5ab271
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  41.0401 4.1 36
  42.0445 49.1 440
  43.0513 4.3 38
  44.0214 1.5 13
  44.0595 111.4 999
  45.0071 22.8 204
  55.0241 1.6 14
  60.0048 1.3 11
  65.0433 37.6 337
  66.0518 4.6 41
  70.0326 4.9 43
  73.0117 2.2 19
  74.0183 15.4 138
  75.0264 10.5 94
  76.0336 6.7 60
  77.0417 56.6 507
  78.049 6.3 56
  81.0363 7.8 69
  85.01 2.2 19
  86.0166 5.1 45
  87.0248 7.7 69
  88.0406 23.1 207
  89.0402 39.6 355
  91.0555 21.2 190
  94.0424 3.7 33
  98.0157 3.6 32
  99.0223 1.7 15
  101.0378 1.6 14
  102.0471 13.5 121
  113.0386 7.3 65
  114.0455 2 17
  115.0543 24.6 220
  126.046 6.8 60
  127.0541 7.5 67
  128.0607 12.7 113
  137.0394 1.3 11
  138.0463 1.5 13
  139.0538 13.9 124
  150.0457 3.1 27
  151.054 1.9 17
  152.0609 1.4 12
  163.0538 4.7 42
//