ACCESSION: MSBNK-Waters-WA000010
RECORD_TITLE: Anilofos; 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$NAME: Anilofos
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₉ClNO₃PS₂
CH$EXACT_MASS: 367.02325
CH$SMILES: CC(C)N(C(=O)CSP(=S)(OC)OC)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
CH$LINK: CAS 64249-01-0
CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058149

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 368.07
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0900000000-a67c9e0ce43cd97b978b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  61 16 16
  79 16 16
  92 20 20
  110 8 8
  125 999 999
  126 8 8
  127 8 8
  128 27 27
  138 35 35
  143 12 12
  149 12 12
  157 121 121
  166 31 31
  167 8 8
  171 290 290
  184 12 12
  199 24 24
  208 12 12
//