MassBank Record: MSBNK-AGILENT-AG000017
ACCESSION: MSBNK-AGILENT-AG000017
RECORD_TITLE: Malathion; ESI-QTOF; MS2; CE: 40; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 331.0433427416
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-006t-9300000000-4869afa01e3877f3c914
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
53.002191 1.770497 17
55.017841 1.00938 10
58.994997 1.915711 19
62.018472 2.372736 23
71.012756 16.545596 165
78.994342 17.86109 178
86.989912 4.114917 41
93.009992 1.115066 11
99.00767 100 999
110.966413 3.592676 35
114.984826 1.152245 11
118.961983 2.973713 29
124.982063 51.353227 513
//