MassBank Record: JP003033



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

ACCESSION: JP003033
RECORD_TITLE: 9-NITROANTHRACENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 9-NITROANTHRACENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H9NO2 CH$EXACT_MASS: 223.06333 CH$SMILES: [O-1][N+1](=O)c(c21)c(c3)c(ccc3)cc(cccc2)1 CH$IUPAC: InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-2910000000-0331beccfc6b5f2915c0 PK$NUM_PEAK: 75 PK$PEAK: m/z int. rel.int. 39 12.4 124 50 9.2 92 51 11.9 119 52 0.22 2 61 1.1 11 62 9.2 92 63 16.2 162 64 0.16 2 65 1.1 11 69 1.1 11 70 3.2 32 73 0.05 1 74 14.6 146 75 25.4 254 76 9.2 92 77 5.94 59 78 1.6 16 80 1.1 11 81 1.1 11 82 0.32 3 83 1.1 11 85 1.1 11 86 7 70 87 1.51 15 88 46.5 465 89 4.9 49 98 8.1 81 99 0.07 1 100 3.2 32 101 2.7 27 102 1.6 16 110 0.22 2 111 3.2 32 112 1.1 11 113 2.2 22 114 0.11 1 115 4.3 43 122 2.2 22 123 2.2 22 124 0.16 2 125 2.7 27 126 7 70 127 3.1 31 137 0.16 2 138 1.1 11 139 9.2 92 140 4.3 43 149 0.65 7 150 27 270 151 38.9 389 152 9.2 92 153 0.32 3 154 1 10 162 2.7 27 163 13.4 134 164 1.35 14 165 88.6 886 166 19.5 195 167 25.4 254 168 0.43 4 173 1.6 16 174 13.5 135 175 26.5 265 176 99.99 999 177 85.9 859 178 24.9 249 179 10.3 103 180 0.16 2 193 80.5 805 194 15.1 151 195 10.8 108 222 0.22 2 223 88.6 886 224 14.1 141 225 1.6 16 //