ACCESSION: MSBNK-AGILENT-AG000052
RECORD_TITLE: Carbofuran; ESI-QTOF; MS2; CE: 20; [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 20

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

PK$SPLASH: splash10-00di-1900000000-842111b7d612a8d11ce6
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  55.054227 11.879934 118
  58.02874 2.132866 21
  77.038577 1.018577 10
  91.054227 3.182208 31
  95.049141 1.233415 12
  111.044056 1.007505 10
  119.085527 3.236243 32
  123.044056 100 999
  137.059706 6.661638 66
  147.080441 2.410543 24
  165.091006 24.428145 244
//