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MassBank Record: MSBNK-AGILENT-AG000018

Malathion; ESI-QTOF; MS2; CE: 10; [M+H]+

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

ACCESSION: MSBNK-AGILENT-AG000018
RECORD_TITLE: Malathion; ESI-QTOF; MS2; CE: 10; [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 10

MS$FOCUSED_ION: PRECURSOR_M/Z 331.0433427416
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004j-4910000000-cd78c9cf918a86225c37
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  99.00767 62.878043 628
  114.984826 1.024341 10
  124.982063 7.351817 73
  127.038971 100 999
  143.016127 1.158213 11
  146.993283 1.141861 11
  158.969784 1.65769 16
  173.080835 1.095123 10
  187.001084 1.001303 10
  189.057991 1.240461 12
  210.964698 5.398201 53
  257.006563 4.758192 47
  285.001478 13.835537 138
//

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