MassBank Record: MSBNK-AGILENT-AG000014
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
//