MassBank Record: MSBNK-Waters-WA000007

Anilofos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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ACCESSION: MSBNK-Waters-WA000007
RECORD_TITLE: Anilofos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 10 V

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

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PK$SPLASH: splash10-014i-0109000000-92dc40c0f3c9cf8e0787
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  198 8 8
  199 165 165
  367 78 78
  368 999 999
  369 31 31
//