MassBank Record: JP001619



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

ACCESSION: JP001619
RECORD_TITLE: 3-NITRODIPHENYL; 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$NAME: 3-NITRODIPHENYL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H9NO2 CH$EXACT_MASS: 199.06333 CH$SMILES: [O-1][N+1](=O)c(c2)cc(cc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
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$SPLASH: splash10-0udj-3900000000-b1df2107ea7960fc450b PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 40 1.34 13 43 5.31 53 44 12.46 125 50 7.39 74 51 13.2 132 52 2.26 23 58 1.4 14 62 3.05 31 63 12.22 122 64 1.1 11 74 4.7 47 75 9.04 90 76 24.81 248 77 10.26 103 78 1.16 12 86 1.22 12 87 1.83 18 89 1.46 15 98 1.22 12 99 1.65 17 100 1.22 12 101 2.26 23 102 2.81 28 115 5.92 59 125 1.22 12 126 6.35 64 127 9.22 92 128 1.16 12 139 1.58 16 141 9.16 92 142 1.34 13 150 6.29 63 151 22.79 228 152 86 860 153 62.83 628 154 7.94 79 173 1.46 15 183 1.46 15 198 2.26 23 199 99.99 999 200 13.56 136 201 1.22 12 //