ACCESSION: MSBNK-AGILENT-AG000014
RECORD_TITLE: Dimethoate; ESI-QTOF; MS2; CE: 10; [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 10

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

PK$SPLASH: splash10-00dj-2900000000-2ab7d0c509a9a20ac5ac
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  44.049476 1.416113 14
  61.010647 1.071725 10
  78.994342 1.574533 15
  88.021546 54.285135 542
  89.02332 2.222626 22
  119.993617 1.789641 17
  124.982063 60.338316 602
  125.986517 1.28666 12
  142.992628 5.17964 51
  156.954134 4.920326 49
  170.969784 69.104271 690
  197.980683 7.480512 74
  198.964698 100.000001 999
  199.972524 4.385928 43
  230.006898 5.675325 56
//