ACCESSION: MSBNK-AGILENT-AG000054
RECORD_TITLE: Carbofuran; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Carbofuran
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.10519
CH$SMILES: CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2
CH$IUPAC: InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
CH$LINK: CAS 1563-66-2
CH$LINK: CHEMSPIDER 2468
CH$LINK: INCHIKEY DUEPRVBVGDRKAG-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 222.1124698045
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9600000000-8437cce2d1d70c526aa5
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  51.022927 6.710057 67
  53.038577 2.786624 27
  55.017841 4.182815 41
  55.054227 28.784026 287
  58.02874 9.13743 91
  65.038577 8.262594 82
  67.054227 16.709196 166
  77.038577 40.440806 404
  79.054227 1.792263 17
  81.033491 1.533423 15
  91.054227 28.183965 281
  93.033491 1.735781 17
  95.049141 16.423273 164
  103.054227 1.850395 18
  104.062052 1.052571 10
  105.033491 9.854111 98
  107.049141 1.673379 16
  117.069877 1.591685 15
  119.049141 2.213842 22
  119.085527 1.566128 15
  123.044056 100 999
  131.049141 1.00328 10
  137.059706 2.008781 20
//