ACCESSION: MSBNK-Waters-WA000143
RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:30 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 30 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$SPLASH: splash10-0292-1900000000-a3e0592adcb579b97e38
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  54 31 31
  57 121 121
  58 12 12
  61 67 67
  64 8 8
  76 43 43
  79 8 8
  84 35 35
  86 55 55
  90 82 82
  91 12 12
  92 12 12
  94 12 12
  96 16 16
  105 63 63
  107 59 59
  108 16 16
  111 16 16
  115 27 27
  117 20 20
  121 12 12
  122 43 43
  124 153 153
  131 12 12
  133 59 59
  135 90 90
  136 8 8
  139 27 27
  143 43 43
  146 31 31
  147 8 8
  149 137 137
  150 8 8
  153 51 51
  160 20 20
  162 427 427
  164 576 576
  167 901 901
  168 24 24
  177 341 341
  178 12 12
  180 8 8
  195 999 999
  196 31 31
//