MassBank Record: JP001998



 3,6-DINITROCARBAZOLE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001998
RECORD_TITLE: 3,6-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$NAME: 3,6-DINITROCARBAZOLE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H7N3O4 CH$EXACT_MASS: 257.04366 CH$SMILES: [O-1][N+1](=O)c(c3)cc(c(c3)1)c(c2)c(ccc([N+1]([O-1])=O)2)n1 CH$IUPAC: InChI=1S/C12H7N3O4/c16-14(17)7-1-3-11-9(5-7)10-6-8(15(18)19)2-4-12(10)13-11/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$SPLASH: splash10-0bt9-8970000000-e69514b2188f1abd1049 PK$NUM_PEAK: 72 PK$PEAK: m/z int. rel.int. 28 16.6 166 29 8 80 30 2.8 28 39 0.44 4 41 15.8 158 42 5.3 53 43 26.6 266 44 2.58 26 45 3.3 33 51 1.9 19 53 1.7 17 54 0.22 2 55 15.8 158 56 4.7 47 57 15.5 155 60 0.44 4 61 4.2 42 63 2.2 22 68 2.8 28 69 1.25 13 70 3 30 71 6.7 67 73 4.7 47 74 0.22 2 75 1.7 17 77 3 30 79 1.4 14 81 0.47 5 82 2.2 22 83 6.1 61 84 5.5 55 85 0.39 4 86 1.7 17 87 2.5 25 95 3.3 33 96 0.19 2 97 5 50 98 4.4 44 99 1.9 19 109 0.19 2 110 1.7 17 111 3.3 33 112 2.2 22 113 0.17 2 114 1.7 17 115 1.4 14 123 1.9 19 125 0.17 2 126 2.8 28 127 1.9 19 129 2.5 25 137 0.42 4 138 9.1 91 139 2.8 28 152 2.8 28 153 0.58 6 154 2.2 22 164 61.4 614 165 59.1 591 166 0.19 2 180 1.9 19 181 34.9 349 182 2.5 25 197 0.14 1 211 31.6 316 212 2.2 22 226 2.5 25 227 3.41 34 228 2.5 25 239 1.9 19 257 99.99 999 258 11.2 112 //