ACCESSION: MSBNK-AGILENT-AG000015
RECORD_TITLE: Dimethoate; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY

CH$NAME: Dimethoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂NO₃PS₂
CH$EXACT_MASS: 228.99962
CH$SMILES: CNC(=O)CSP(=S)(OC)OC
CH$IUPAC: InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
CH$LINK: CAS 60-51-5
CH$LINK: CHEMSPIDER 2973
CH$LINK: INCHIKEY MCWXGJITAZMZEV-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 230.0068976588
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0092-9200000000-9979b9e8b7e56d5f6ac9
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  44.049476 10.483417 104
  44.979347 11.389515 113
  45.987172 1.083227 10
  46.968128 14.410049 143
  46.994997 100.000001 999
  56.049476 1.030073 10
  58.994997 3.826345 38
  59.999762 2.09964 20
  61.010647 2.687841 26
  62.005896 1.461889 14
  62.018472 12.259882 122
  62.999428 6.755318 67
  76.021546 1.970489 19
  78.010327 2.443276 24
  78.994342 77.844782 777
  88.021546 3.429221 34
  92.025977 1.483718 14
  93.009992 23.356912 233
  109.004907 1.625838 16
  110.966413 6.422334 64
  123.998047 3.279739 32
  124.982063 77.46131 773
  125.986517 1.100392 10
  156.954134 1.259696 12
//