MassBank Record: JP001612



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

ACCESSION: JP001612
RECORD_TITLE: 1,4-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$NAME: 1,4-DINITROBENZENE CH$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 CH$LINK: CAS 100-25-4
AC$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: splash10-0fb9-9100000000-937eb880c67e10deb3cf PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 40 1.1 11 43 1.67 17 44 8.15 82 45 1.05 11 46 4.22 42 49 4.46 45 50 99.99 999 51 12.27 123 52 4.41 44 53 5.61 56 54 1.87 19 61 3.54 35 62 6.09 61 63 20.19 202 64 26.42 264 65 2.06 21 73 3.93 39 74 23.59 236 75 68.48 685 76 50.31 503 77 4.74 47 92 15.87 159 93 1.15 12 122 11.65 117 168 31.7 317 169 2.78 28 //