ACCESSION: MSBNK-Waters-WA002790
RECORD_TITLE: Carbofuran; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Carbofuran
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₅NO₃
CH$EXACT_MASS: 221.10519
CH$SMILES: CNC(=O)Oc(c2)c(O1)c(cc2)CC(C)(C)1
CH$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: INCHIKEY DUEPRVBVGDRKAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9020249

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.840 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0lk9-0900000000-da5080d504fe56d3b00f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  102 43 43
  103 678 678
  104 153 153
  105 639 639
  106 121 121
  107 114 114
  108 8 8
  109 16 16
  110 90 90
  111 12 12
  113 8 8
  114 8 8
  115 145 145
  116 31 31
  117 78 78
  118 999 999
  119 90 90
  121 8 8
  123 913 913
  124 74 74
  127 43 43
  128 39 39
  129 20 20
  131 215 215
  132 47 47
  134 16 16
  135 24 24
  144 8 8
  145 16 16
  147 20 20
  150 8 8
  160 8 8
  168 8 8
  179 8 8
  184 8 8
  187 8 8
  221 8 8
  222 8 8
//