MassBank Record: MSBNK-AGILENT-AG000009
ACCESSION: MSBNK-AGILENT-AG000009
RECORD_TITLE: Hexaflumuron; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.02.17
AUTHORS: Rennie E, McEachran A, Agilent Technologies
LICENSE: CC BY
CH$NAME: Hexaflumuron
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H8Cl2F6N2O3
CH$EXACT_MASS: 459.98162
CH$SMILES: O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F
CH$IUPAC: InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)
CH$LINK: CAS
86479-06-3
CH$LINK: CHEMSPIDER
82839
CH$LINK: INCHIKEY
RGNPBRKPHBKNKX-UHFFFAOYSA-N
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 458.9743403052
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-0010900000-41e490c2e54cdcdbbd97
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
96.990673 1.926093 19
112.984932 2.15334 21
116.995758 1.806623 18
156.025501 2.110388 21
174.957929 1.722527 17
275.960013 14.671821 146
300.955262 3.085116 30
301.989838 1.746691 17
402.991434 12.166667 121
422.997663 4.58437 45
438.968112 100 999
458.97434 13.413253 133
//