ACCESSION: MSBNK-Waters-WA000249
RECORD_TITLE: Bromoxynil; 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$NAME: Bromoxynil
CH$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

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 275.7
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0090000000-ea42d282876c4e2f6dc4
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
276 999 999
277 20 20
//