MassBank Record: JP001652



 1,4-DINITROBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001652
RECORD_TITLE: 1,4-DINITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,4-DINITROBENZENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H4N2O4 CH$EXACT_MASS: 168.01711 CH$SMILES: [O-1][N+1](=O)c(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-0059-9200000000-de5173d7f39ae3292ad7 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 26 1.3 13 27 2.86 29 28 9.09 91 30 93.05 931 37 4.03 40 38 7.4 74 39 6.36 64 44 2.01 20 46 1.3 13 49 1.82 18 50 69.48 695 51 8.31 83 52 2.47 25 53 4.42 44 61 2.27 23 62 4.29 43 63 17.47 175 64 28.25 283 65 2.66 27 73 3.12 31 74 22.73 227 75 99.99 999 76 70.26 703 77 6.04 60 91 2.6 26 92 33.96 340 93 2.27 23 122 30.52 305 123 2.14 21 138 0.65 7 152 2.08 21 168 78.83 788 169 5.84 58 //