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MassBank Record: WA000079

Dimethirimol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: WA000079
RECORD_TITLE: Dimethirimol; LC-ESI-QQ; MS2; CE:30 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 30 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$SPLASH: splash10-044m-9850000000-53ef1c8292fcf17f3f05
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  55 63 63
  67 16 16
  69 47 47
  71 905 905
  72 8 8
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  81 47 47
  83 12 12
  88 8 8
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  104 8 8
  107 43 43
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  114 12 12
  120 8 8
  121 8 8
  122 47 47
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  138 63 63
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  152 145 145
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  165 298 298
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  168 8 8
  208 12 12
  210 999 999
  211 16 16
//

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