MassBank Record: JP001620



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

ACCESSION: JP001620
RECORD_TITLE: 5-NITROACENAPHTHENE; 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$NAME: 5-NITROACENAPHTHENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H9NO2 CH$EXACT_MASS: 199.06333 CH$SMILES: [O-1][N+1](=O)c(c1)c(c3)c(c(cc3)2)c(CC2)c1 CH$IUPAC: InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
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$SPLASH: splash10-0udi-3900000000-47db36c0747a33d8ab45 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 40 1.22 12 43 1.09 11 46 10.34 103 49 1.27 13 50 15.52 155 51 18.48 185 52 4.05 41 53 1.11 11 61 3.74 37 62 12.01 120 63 26.59 266 64 3.06 31 65 2.28 23 73 1.69 17 74 13.91 139 75 20.12 201 76 20.64 206 77 8.63 86 78 1.32 13 85 1.92 19 86 5.82 58 87 7.82 78 88 2.62 26 89 3.71 37 91 1.11 11 98 5.01 50 99 4.52 45 100 2.6 26 101 3.38 34 102 3.77 38 110 1.32 13 111 1.56 16 113 2.96 30 114 2.78 28 115 24.23 242 116 5.12 51 122 1.14 11 125 3.01 30 126 10.34 103 127 7.59 76 128 2.34 23 129 1.53 15 138 1.22 12 139 9.95 100 140 5.79 58 141 31.64 316 142 7.67 77 143 4.23 42 144 2 20 149 2.39 24 150 18.33 183 151 40.24 402 152 99.99 999 153 41.88 419 154 6.52 65 168 3.01 30 169 24.93 249 170 5.48 55 171 2.28 23 181 1.3 13 182 13.15 132 183 3.95 40 198 10.68 107 199 49.47 495 200 8.86 89 //