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MassBank Record: WA000246

Fluroxypyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: WA000246
RECORD_TITLE: Fluroxypyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fluroxypyr
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H5Cl2FN2O3
CH$EXACT_MASS: 253.96613
CH$SMILES: OC(=O)COc(n1)c(Cl)c(N)c(Cl)c(F)1
CH$IUPAC: InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
CH$LINK: CAS 69377-81-7
CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2034627

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 252.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0002-0920000000-c76ef755293b987a91f4
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  127 12 12
  188 8 8
  195 999 999
  196 24 24
  217 8 8
  233 192 192
  234 8 8
  252 63 63
//

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