MassBank Record: KO000592



 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000592
RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-059j-5930000000-9099439aa3af53b16b1a PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 35.200 450495.5 304 46.300 792080.0 535 59.200 430693.5 291 62.200 29703.0 20 65.700 29703.0 20 73.200 39604.0 27 74.900 103960.5 70 79.100 19802.0 13 87.300 103960.5 70 88.700 24752.5 17 95.000 212871.5 144 95.800 34653.5 23 102.800 262376.5 177 114.900 14851.5 10 123.300 1034654.5 698 133.100 113861.5 77 139.300 613862.0 414 148.300 19802.0 13 148.800 59406.0 40 157.800 94059.5 63 158.900 39604.0 27 169.100 247525.0 167 174.900 103960.5 70 189.300 915842.5 618 205.200 1480199.5 999 //