MassBank Record: MSBNK-AGILENT-AG000018
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
//