MassBank Record: MSBNK-Waters-WA000252

Bromoxynil; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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ACCESSION: MSBNK-Waters-WA000252
RECORD_TITLE: Bromoxynil; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: Bromoxynil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₃Br₂NO
CH$EXACT_MASS: 274.85814
CH$SMILES: N#Cc(c1)cc(Br)c(O)c(Br)1
CH$IUPAC: InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
CH$LINK: CAS 1689-84-5
CH$LINK: INCHIKEY UPMXNNIRAGDFEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022162

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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 40 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 275.7
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-003r-9000000000-6ec9874a3c6fc98c028d
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  78 940 940
  80 999 999
  85 27 27
  114 12 12
  167 51 51
  169 47 47
  194 16 16
  196 31 31
  276 16 16
//