MassBank Record: MSBNK-Waters-WA000180

Ioxynil; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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ACCESSION: MSBNK-Waters-WA000180
RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:20 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$NAME: Ioxynil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₃I₂NO
CH$EXACT_MASS: 370.83040
CH$SMILES: N#Cc(c1)cc(I)c(O)c(I)1
CH$IUPAC: InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
CH$LINK: CAS 1689-83-4
CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022161

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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 20 V

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MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 369.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

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PK$SPLASH: splash10-00di-0209000000-6dbfdb9b5ad055763d49
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  126 247 247
  215 20 20
  243 35 35
  369 8 8
  370 999 999
  371 12 12
//