MassBank Record: JP003277



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

ACCESSION: JP003277
RECORD_TITLE: N-ETHYL-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$NAME: N-ETHYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H9N3O4 CH$EXACT_MASS: 211.05931 CH$SMILES: CCNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H9N3O4/c1-2-9-7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5,9H,2H2,1H3
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$SPLASH: splash10-004i-7900000000-a1f62e87280502386bce PK$NUM_PEAK: 76 PK$PEAK: m/z int. rel.int. 42 1.6 16 43 10.3 103 46 2.9 29 50 7.6 76 51 12.6 126 52 15.2 152 53 3.8 38 61 4.2 42 63 18.1 181 64 13.3 133 65 15.2 152 66 11.3 113 67 2.4 24 74 5.5 55 75 11.1 111 76 16.8 168 77 19.8 198 78 99.99 999 79 12.6 126 80 7.9 79 88 3.5 35 89 5.9 59 90 12.2 122 91 24.6 246 92 17 170 93 11.1 111 94 2.4 24 102 3.3 33 103 8.3 83 104 26.5 265 105 6.8 68 106 8.7 87 107 2.2 22 108 5.5 55 109 3.5 35 111 3.3 33 116 4 40 117 15.7 157 118 25.7 257 119 16.1 161 120 14.2 142 121 9.2 92 122 14.8 148 123 3.3 33 126 2.9 29 130 3.3 33 131 5.5 55 132 8.5 85 134 6.8 68 137 3.7 37 138 10.5 105 146 3.3 33 147 6.8 68 148 3.1 31 149 9.8 98 150 16.1 161 151 10 100 152 3.7 37 157 3.5 35 163 3.5 35 164 9.2 92 166 16.1 161 167 4.6 46 176 8.3 83 177 4.2 42 178 3.5 35 179 2.9 29 180 3.3 33 181 4.4 44 194 6.3 63 195 6.1 61 196 67.1 671 197 3.7 37 198 3.5 35 211 34.1 341 212 3.1 31 //