MassBank Record: JP003280



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

ACCESSION: JP003280
RECORD_TITLE: N-ISOPROPYL-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$NAME: N-ISOPROPYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11N3O4 CH$EXACT_MASS: 225.07496 CH$SMILES: CC(C)Nc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C9H11N3O4/c1-6(2)10-8-4-3-7(11(13)14)5-9(8)12(15)16/h3-6,10H,1-2H3
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$SPLASH: splash10-03di-5940000000-abde2468fdbb515c77b1 PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 41 2.3 23 43 4.2 42 44 2.7 27 45 3.6 36 50 3.7 37 51 7.6 76 52 7.7 77 53 2.6 26 54 1.3 13 56 1.8 18 59 2 20 61 2.2 22 62 5.3 53 63 12.7 127 64 8.7 87 65 8.8 88 66 4.1 41 67 2 20 68 2.5 25 74 2.8 28 75 7 70 76 5.2 52 77 6.2 62 78 9.1 91 79 6.2 62 80 4.7 47 89 6.2 62 90 8.2 82 91 20.5 205 92 5.6 56 93 4.8 48 94 5.1 51 95 1.6 16 98 2 20 102 1.8 18 103 4 40 104 3.7 37 105 2 20 106 6 60 107 7.3 73 108 1.5 15 109 2 20 116 3.6 36 117 16.5 165 118 28.9 289 119 6.7 67 120 4.6 46 121 3.8 38 122 3.8 38 123 2.2 22 130 6 60 131 5.2 52 132 5.2 52 133 3 30 134 30.7 307 135 3.5 35 136 2.5 25 137 4.2 42 138 2.5 25 144 2.2 22 145 2.2 22 146 6.1 61 147 3 30 148 2.6 26 149 5.2 52 150 2.2 22 152 3.1 31 153 4 40 160 2 20 161 2.1 21 162 2 20 163 7.7 77 164 30 300 165 3.7 37 166 4.7 47 167 4.1 41 168 1.3 13 176 2 20 177 3.7 37 178 4 40 180 9.1 91 181 2.2 22 183 2.2 22 190 6.6 66 191 2.2 22 192 10 100 193 2 20 194 4 40 195 4 40 206 2.2 22 207 4.8 48 208 4.3 43 209 2 20 210 99.99 999 211 9.5 95 225 25.4 254 226 4 40 //