MassBank Record: MSBNK-AGILENT-AG000016
ACCESSION: MSBNK-AGILENT-AG000016
RECORD_TITLE: Malathion; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Malathion
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H19O6PS2
CH$EXACT_MASS: 330.03607
CH$SMILES: CCOC(=O)C(CC(=O)OCC)SP(=S)(OC)OC
CH$IUPAC: InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
CH$LINK: CAS
121-75-5
CH$LINK: CHEMSPIDER
3864
CH$LINK: INCHIKEY
JXSJBGJIGXNWCI-UHFFFAOYSA-N
AC$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 331.0433427416
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9400000000-58ff4fd9988b0a7c1b9f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
71.012756 2.188203 21
78.994342 1.273452 12
86.989912 1.530593 15
99.00767 100 999
114.984826 1.920098 19
117.000477 1.413978 14
124.982063 24.784355 247
127.038971 21.937069 219
146.993283 1.704927 17
210.964698 5.659636 56
257.006563 1.127783 11
//