MassBank Record: MSBNK-AGILENT-AG000015
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
//