ACCESSION: MSBNK-Waters-WA000144
RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Furathiocarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₆N₂O₅S
CH$EXACT_MASS: 382.15624
CH$SMILES: CCCCOC(=O)N(C)SN(C)C(=O)Oc(c2)c(O1)c(cc2)CC(C)(C)1
CH$IUPAC: InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3
CH$LINK: CAS 65907-30-4
CH$LINK: INCHIKEY HAWJXYBZNNRMNO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3052725

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 383.24
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03fs-1900000000-61ee7c7e263b551bd71d
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  52 12 12
  55 98 98
  57 208 208
  58 59 59
  62 114 114
  64 20 20
  67 20 20
  69 8 8
  70 12 12
  72 12 12
  76 67 67
  77 8 8
  79 67 67
  81 20 20
  84 137 137
  86 51 51
  90 188 188
  91 20 20
  93 47 47
  94 47 47
  96 286 286
  98 12 12
  102 47 47
  105 298 298
  107 129 129
  108 212 212
  110 71 71
  112 8 8
  114 63 63
  116 212 212
  117 82 82
  119 12 12
  120 43 43
  122 333 333
  125 909 909
  126 31 31
  131 145 145
  133 219 219
  134 149 149
  136 39 39
  139 102 102
  140 8 8
  142 16 16
  143 309 309
  145 51 51
  146 239 239
  149 697 697
  151 35 35
  153 165 165
  154 8 8
  160 43 43
  162 999 999
  164 725 725
  167 799 799
  168 27 27
  177 255 255
  178 8 8
  180 20 20
  195 337 337
  196 12 12
//