MassBank Record: JP001611



 1,3-DINITROBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001611
RECORD_TITLE: 1,3-DINITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DINITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4N2O4 CH$EXACT_MASS: 168.01711 CH$SMILES: [O-1][N+1](=O)c(c1)cc(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H CH$LINK: CAS 99-65-0
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0fb9-9100000000-ce6bfeb5ef2ced4681a2 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 40 1.26 13 44 4.74 47 46 6.05 61 49 4.84 48 50 99.99 999 51 14.87 149 52 5.04 50 53 2.52 25 54 1.36 14 55 1.66 17 61 3.17 32 62 5.04 50 63 20.32 203 64 23.75 238 65 1.76 18 73 3.53 35 74 21.78 218 75 59.7 597 76 57.63 576 77 5.39 54 92 20.32 203 93 1.56 16 122 13.16 132 152 1.15 12 168 28.24 282 169 2.37 24 //