MassBank Record: JP001618



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

ACCESSION: JP001618
RECORD_TITLE: 2-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$NAME: 2-NITRODIPHENYL CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H9NO2 CH$EXACT_MASS: 199.06333 CH$SMILES: [O-1][N+1](=O)c(c2)c(ccc2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/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$SPLASH: splash10-0udi-6900000000-aa6e6064cecf88ebcf97 PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 40 6.17 62 41 3.72 37 43 2.05 21 44 3.03 30 46 6.07 61 49 3.81 38 50 53.47 535 51 69.34 693 52 15.67 157 53 11.75 118 54 1.07 11 55 4.6 46 57 2.74 27 58 4.4 44 59 1.66 17 61 6.95 70 62 24.87 249 63 58.17 582 64 11.16 112 65 9.69 97 66 1.37 14 68 1.86 19 69 1.76 18 70 2.44 24 72 1.07 11 73 4.21 42 74 31.83 318 75 40.64 406 76 58.76 588 77 34.47 345 78 6.56 66 79 1.07 11 81 2.44 24 85 3.42 34 86 10.57 106 87 14.98 150 88 6.85 69 89 13.02 130 90 9.3 93 91 5.68 57 92 2.84 28 98 8.42 84 99 6.26 63 100 4.3 43 101 9.3 93 102 12.63 126 103 4.5 45 104 4.7 47 110 1.95 20 111 2.15 22 113 6.75 68 114 8.32 83 115 97.64 976 116 30.26 303 117 24.38 244 118 2.93 29 122 1.17 12 125 4.21 42 126 23.89 239 127 21.25 213 128 15.57 156 129 16.25 163 130 6.36 64 138 1.56 16 139 16.84 168 140 7.93 79 141 24.19 242 142 26.15 262 143 43.87 439 144 11.16 112 145 1.95 20 146 3.23 32 149 1.95 20 150 18.02 180 151 46.13 461 152 99.99 999 153 19.78 198 154 25.85 259 155 4.4 44 156 1.37 14 166 5.38 54 167 2.25 23 168 9.2 92 169 6.46 65 170 20.86 209 171 50.44 504 172 7.05 71 181 2.84 28 182 33.59 336 183 5.87 59 198 5.58 56 199 27.61 276 200 4.11 41 //