MassBank Record: JP003276



 N-BUTYL-2,4-DINITROBENZENAMINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003276
RECORD_TITLE: N-BUTYL-2,4-DINITROBENZENAMINE; 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$NAME: N-BUTYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3O4 CH$EXACT_MASS: 239.09061 CH$SMILES: CCCCNc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C10H13N3O4/c1-2-3-6-11-9-5-4-8(12(14)15)7-10(9)13(16)17/h4-5,7,11H,2-3,6H2,1H3
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-3900000000-7d40798499cd9ba4f950 PK$NUM_PEAK: 91 PK$PEAK: m/z int. rel.int. 43 2 20 45 1.1 11 46 1.7 17 50 3.1 31 51 8.9 89 52 5.3 53 53 2.6 26 55 1.1 11 62 3.8 38 63 6.7 67 64 3.9 39 65 9.4 94 66 3.2 32 67 1.6 16 71 5.5 55 74 2 20 75 5.2 52 76 8.3 83 77 15.9 159 78 13.9 139 79 4.1 41 80 4.5 45 89 1.5 15 90 3.8 38 91 5.5 55 92 10.5 105 93 4.7 47 98 1.7 17 102 1.9 19 103 3 30 104 16.6 166 105 8.1 81 106 3.6 36 108 4.3 43 110 1.9 19 111 1.7 17 113 1.1 11 116 2 20 117 4.3 43 118 5.5 55 119 5.2 52 120 8.6 86 121 4.3 43 122 11.8 118 123 2.2 22 130 3.4 34 131 2.2 22 132 1.8 18 133 1.9 19 134 6 60 136 2.6 26 137 1.8 18 138 8.9 89 145 1.6 16 146 3.4 34 147 3.8 38 149 4.4 44 150 15.1 151 151 3.1 31 152 1.9 19 153 1.8 18 158 1.5 15 159 1.7 17 160 1.9 19 161 1.5 15 163 3.6 36 164 3.6 36 166 16.9 169 167 3.6 36 174 1.7 17 175 2.3 23 176 3.1 31 177 3.8 38 179 4.6 46 180 9.5 95 181 1.6 16 183 2.9 29 184 1.7 17 185 1.2 12 191 1.8 18 192 1.7 17 193 1.6 16 196 99.99 999 197 9.6 96 198 2.6 26 204 1.5 15 207 1.7 17 209 3.1 31 223 1.9 19 239 16.3 163 240 2.1 21 //