MassBank Record: WA000008

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Anilofos; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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ACCESSION: WA000008
RECORD_TITLE: Anilofos; 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$NAME: Anilofos
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H19ClNO3PS2
CH$EXACT_MASS: 367.02325000000001864464138634502887725830078125
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: COMPTOX DTXSID5058149
CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N

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$FOCUSED_ION: PRECURSOR_M/Z 368.07
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0900000000-06e7d0d927278aa3d780
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  125 47 47
  157 8 8
  171 294 294
  183 8 8
  198 47 47
  199 999 999
  200 12 12
  226 31 31
  336 16 16
  367 16 16
  368 98 98
  369 8 8
//