ACCESSION: MSBNK-Waters-WA000207
RECORD_TITLE: Diclosulam; 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$NAME: Diclosulam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₀Cl₂FN₅O₃S
CH$EXACT_MASS: 404.98654
CH$SMILES: CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(Cl)ccc2
CH$IUPAC: InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
CH$LINK: CAS 145701-21-9
CH$LINK: INCHIKEY QNXAVFXEJCPCJO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4034528

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 406
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0900000000-58d9508f51c474feed7a
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  90 8 8
  125 16 16
  161 999 999
  162 16 16
  176 20 20
//