MassBank Record: MSBNK-AGILENT-AG000013
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
//