MassBank Record: JP000427



 5-BROMO-4-NITROINDOLINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000427
RECORD_TITLE: 5-BROMO-4-NITROINDOLINE; 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$NAME: 5-BROMO-4-NITROINDOLINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7BrN2O2 CH$EXACT_MASS: 241.96909 CH$SMILES: [O-1][N+1](=O)c(c(Br)1)c(C2)c(NC2)cc1 CH$IUPAC: InChI=1S/C8H7BrN2O2/c9-6-1-2-7-5(3-4-10-7)8(6)11(12)13/h1-2,10H,3-4H2
AC$INSTRUMENT: MX-1303 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aou-9220000000-4c2a75a5cf8e4c92266d PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 46 1.1 11 50 1.5 15 51 2.6 26 52 0.17 2 53 2.3 23 54 8.2 82 55 79.4 794 56 2.51 25 57 99.99 999 58 2.7 27 58.5 1.1 11 59 0.12 1 60 19.2 192 61 5 50 62 2.1 21 63 0.61 6 64 1.5 15 65 2 20 66 1.4 14 67 2.51 25 68 14.6 146 69 78.1 781 70 18.7 187 71 3.15 32 72 1.2 12 73 23.3 233 74 1.8 18 75 0.14 1 76 1.4 14 77 2.9 29 78 2.3 23 79 0.38 4 80 2.9 29 81 25.6 256 82 21 210 83 5.2 52 84 23.7 237 85 23.3 233 86 2.9 29 87 0.38 4 88 1.8 18 89 18.2 182 90 14.6 146 91 0.33 3 93 2.3 23 94 2.1 21 95 15.5 155 96 1.82 18 97 36.4 364 98 14.6 146 99 3.2 32 101 0.2 2 104 1.4 14 105 2.9 29 107 1.5 15 108 0.12 1 109 7 70 110 6.2 62 111 11.9 119 112 0.27 3 113 2 20 114 1.5 15 115 7.8 78 116 2.31 23 117 27.4 274 118 1.5 15 119 1.1 11 121 0.21 2 123 4.6 46 124 2.7 27 125 3.6 36 126 0.11 1 127 2.3 23 129 4.9 49 132 1.5 15 133 0.33 3 135 1.2 12 137 2.7 27 138 1.8 18 139 0.15 2 141 1.1 11 143 1.1 11 149 1.2 12 152 0.17 2 162 1.8 18 169 2.6 26 194 1.1 11 195 0.29 3 196 17.4 174 197 4.1 41 198 18.3 183 199 0.11 1 212 1.1 11 236 2.7 27 237 1.1 11 241 0.23 2 242 74 740 243 7.6 76 244 69.9 699 245 3 30 //