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MassBank Record: WA000078

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000078
RECORD_TITLE: Dimethirimol; 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$NAME: Dimethirimol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H19N3O
CH$EXACT_MASS: 209.15281
CH$SMILES: CCCCc(c(C)1)c(O)nc(N(C)C)n1
CH$IUPAC: InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)
CH$LINK: CAS 5221-53-4
CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8041874

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 210.05
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-03di-0090000000-4af7103ce02d27b0c73a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  71 16 16
  98 8 8
  140 43 43
  150 12 12
  165 16 16
  167 12 12
  210 999 999
  211 12 12
//

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