ACCESSION: MSBNK-Waters-WA000142
RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:20 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 20 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$SPLASH: splash10-0002-0900000000-1b5d04c789b7ab736cb8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  55 8 8
  57 20 20
  62 27 27
  75 24 24
  84 8 8
  87 55 55
  89 47 47
  104 71 71
  106 8 8
  132 12 12
  135 43 43
  149 16 16
  161 102 102
  164 251 251
  167 313 313
  168 8 8
  177 71 71
  195 999 999
  196 31 31
  252 137 137
  253 8 8
//