MassBank Record: JP001997



 1,6-DINITROCARBAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001997
RECORD_TITLE: 1,6-DINITROCARBAZOLE; 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$NAME: 1,6-DINITROCARBAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H7N3O4 CH$EXACT_MASS: 257.04366 CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(c3)2)c(c1)c(n2)c(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C12H7N3O4/c16-14(17)7-4-5-10-9(6-7)8-2-1-3-11(15(18)19)12(8)13-10/h1-6,13H
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$SPLASH: splash10-0a4l-9240000000-ab27592feda78968ab3e PK$NUM_PEAK: 83 PK$PEAK: m/z int. rel.int. 39 6.4 64 40 1.2 12 41 33.6 336 42 1.04 10 43 57.9 579 51 1.2 12 53 1.8 18 54 0.38 4 55 37 370 56 9 90 57 40 400 58 0.13 1 59 1.2 12 60 7.9 79 61 1.5 15 65 0.1 1 67 9 90 68 5.3 53 69 25.7 257 70 0.64 6 71 14.8 148 72 1 10 73 7.1 71 74 0.12 1 77 1.8 18 79 2 20 80 1.8 18 81 0.97 10 82 5.3 53 83 15.8 158 84 8.4 84 85 0.69 7 87 1.3 13 91 1.6 16 93 2 20 94 0.15 2 95 6.7 67 96 4.6 46 97 11.2 112 98 0.64 6 99 1.6 16 107 1.8 18 109 2.8 28 110 0.2 2 111 4.3 43 112 1.8 18 113 1 10 115 0.12 1 121 1.2 12 123 1.8 18 124 1.2 12 125 0.16 2 126 1.3 13 127 1.3 13 129 2.6 26 135 0.1 1 137 2.6 26 138 4.1 41 139 1.6 16 152 0.31 3 153 3.5 35 154 1.5 15 163 1.2 12 164 2.12 21 165 16.3 163 166 2 20 167 1.3 13 180 0.13 1 181 12.2 122 182 1.5 15 183 1.8 18 184 0.41 4 194 1.2 12 210 1.2 12 211 36.8 368 212 0.28 3 226 4.1 41 227 26.2 262 228 1.8 18 236 0.15 2 239 1 10 257 99.99 999 258 8.6 86 //