MassBank Record: JP001622



 1,5-DINITRONAPHTHALENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001622
RECORD_TITLE: 1,5-DINITRONAPHTHALENE; 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$NAME: 1,5-DINITRONAPHTHALENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H6N2O4 CH$EXACT_MASS: 218.03276 CH$SMILES: [O-1][N+1](=O)c(c2)c(c1)c(cc2)c(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C10H6N2O4/c13-11(14)9-5-1-3-7-8(9)4-2-6-10(7)12(15)16/h1-6H CH$LINK: CAS 605-71-0
AC$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: splash10-01t9-9700000000-5ee3a1488f1312722390 PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 45 1.4 14 46 25.89 259 49 3.1 31 50 39.19 392 51 27.06 271 54 1.11 11 55 4.15 42 60 2.63 26 61 11.01 110 62 30.34 303 63 58.11 581 64 11.59 116 65 3.98 40 66 1.05 11 73 4.97 50 74 56.79 568 75 59.98 600 76 54.07 541 77 21.2 212 78 3.69 37 79 1.11 11 85 3.92 39 86 13.88 139 87 24.42 244 88 32.8 328 89 47.8 478 90 15.64 156 91 10.66 107 92 2.4 24 97 1.93 19 98 15.52 155 99 16.93 169 100 16.98 170 101 15.11 151 102 42.7 427 103 6.15 62 104 20.44 204 105 9.13 91 106 1.52 15 110 1.11 11 111 1.75 18 112 2.1 21 113 33.91 339 114 99.99 999 115 10.95 110 116 24.01 240 117 5.09 51 118 5.79 58 119 23.72 237 120 5.38 54 121 1.34 13 122 2.69 27 125 10.54 105 126 70.41 704 127 8.72 87 128 4.1 41 129 4.56 46 130 16.46 165 131 2.34 23 132 11.13 111 133 1.81 18 141 4.62 46 142 8.08 81 143 1.52 15 144 2.75 28 145 1.05 11 146 2.1 21 156 2.4 24 157 1.64 16 158 12.59 126 159 2.63 26 160 1.4 14 172 2.16 22 188 1.23 12 202 1.34 13 217 3.51 35 218 49.38 494 219 6.38 64 //