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MassBank Record: MSBNK-AGILENT-AG000016

Malathion; ESI-QTOF; MS2; CE: 20; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
//

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