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MassBank Record: WA000183

Ioxynil; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: WA000183
RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:50 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$NAME: Ioxynil
CH$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

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 50 V

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

PK$SPLASH: splash10-004i-0900000000-217f7a487f7b89bede7c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
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