MassBank Record: KO000593



 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000593
RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D048

CH$NAME: 2,6-Dichloro-4-nitroaniline CH$NAME: DCNA CH$NAME: Dichloran CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4Cl2N2O2 CH$EXACT_MASS: 205.96498 CH$SMILES: [O-1][N+1](=O)c(c1)cc(Cl)c(N)c(Cl)1 CH$IUPAC: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2 CH$LINK: CAS 99-30-9 CH$LINK: KEGG C11000 CH$LINK: NIKKAJI J5.236A CH$LINK: PUBCHEM SID:13183
AC$INSTRUMENT: API3000, Applied Biosystems AC$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_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-9400000000-06fb9cb906fd814bf6ea PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 35.200 500000.5 848 46.000 589109.5 999 50.100 39604.0 67 59.200 188119.0 319 63.100 14851.5 25 73.700 103960.5 176 75.300 39604.0 67 87.300 108911.0 185 88.100 44554.5 76 95.300 99010.0 168 102.900 59406.0 101 122.800 301980.5 512 133.000 99010.0 168 138.900 34653.5 59 158.000 59406.0 101 173.300 54455.5 92 189.200 237624.0 403 205.700 24752.5 42 //