MassBank Record: JP001623



 1,8-DINITRONAPHTHALENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001623
RECORD_TITLE: 1,8-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$NAME: 1,8-DINITRONAPHTHALENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H6N2O4 CH$EXACT_MASS: 218.03276 CH$SMILES: [O-1][N+1](=O)c(c2)c(c1cc2)c(ccc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C10H6N2O4/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16/h1-6H CH$LINK: CAS 602-38-0
AC$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: splash10-03xr-5910000000-82f1ddf0bc95d89aed28 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 43 1.13 11 46 2.58 26 50 15.27 153 51 10.56 106 52 4.25 43 53 1.08 11 55 1.36 14 61 3.11 31 62 12.31 123 63 20.66 207 64 6.3 63 65 1.13 11 73 1.13 11 74 21.2 212 75 23.1 231 76 13.6 136 77 5.01 50 78 1.06 11 85 1.06 11 86 5.16 52 87 10.1 101 88 24.01 240 89 18.84 188 90 5.16 52 91 4.86 49 98 5.39 54 99 6.3 63 100 6.76 68 101 6.83 68 102 16.48 165 103 2.2 22 104 6.83 68 105 3.11 31 113 25.6 256 114 99.99 999 115 8.58 86 116 20.44 204 117 3.34 33 118 1.97 20 119 12.08 121 120 2.88 29 122 1.13 11 125 5.24 52 126 32.29 323 128 3.03 30 129 2.5 25 130 8.05 81 132 5.24 52 142 16.71 167 143 2.27 23 144 3.57 36 146 1.13 11 156 1.29 13 158 6.76 68 159 1.51 15 160 1.29 13 171 2.12 21 172 51.82 518 173 4.4 44 188 2.05 21 217 2.73 27 218 59.11 591 219 7.21 72 //