MassBank MassBank Search Contents Download

MassBank Record: MSBNK-AGILENT-AG000013

Dimethoate; ESI-QTOF; MS2; CE: 20; [M+H]+

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

ACCESSION: MSBNK-AGILENT-AG000013
RECORD_TITLE: Dimethoate; ESI-QTOF; MS2; CE: 20; [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 20

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

PK$SPLASH: splash10-00di-2900000000-daee18f2cbab2dbc9858
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  44.049476 2.694779 26
  46.994997 4.167709 41
  61.010647 1.266867 12
  62.018472 1.531697 15
  78.994342 7.545836 75
  88.021546 16.751834 167
  93.009992 2.573476 25
  110.966413 1.474514 14
  119.993617 1.295094 12
  123.998047 1.987315 19
  124.982063 100.000003 999
  125.986517 3.042645 30
  142.992628 2.931965 29
  155.970118 1.073791 10
  156.954134 8.131735 81
  170.969784 16.228111 162
  198.964698 2.062525 20
//

Imprint Feedback
system version 2.2.5

Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium

Responsible: Hannes Bohring

Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI4Chem – Projektnummer 441958208.

de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo