MassBank Record: JP003286



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

ACCESSION: JP003286
RECORD_TITLE: N,N-DIISOBUTYL-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$NAME: N,N-DIISOBUTYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H21N3O4 CH$EXACT_MASS: 295.15321 CH$SMILES: CC(C)CN(CC(C)C)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C14H21N3O4/c1-10(2)8-15(9-11(3)4)13-6-5-12(16(18)19)7-14(13)17(20)21/h5-7,10-11H,8-9H2,1-4H3
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$SPLASH: splash10-0r01-7940000000-a572ffd65d5f55a93475 PK$NUM_PEAK: 95 PK$PEAK: m/z int. rel.int. 41 29 290 42 10.3 103 51 10.8 108 52 15.2 152 53 14.2 142 54 10.3 103 55 20.6 206 56 9.3 93 57 95 950 58 9.3 93 64 9.3 93 65 6.8 68 66 9.3 93 67 12.3 123 68 8.3 83 69 7.3 73 70 9.3 93 71 8.8 88 73 9.3 93 74 9.8 98 75 15.2 152 76 10.3 103 77 29.5 295 78 14.7 147 79 12.8 128 80 8.3 83 81 10.3 103 89 9.8 98 90 9.8 98 91 14.2 142 92 16.7 167 93 10.3 103 94 11.3 113 95 8.8 88 96 8.3 83 97 9.3 93 99 7.3 73 103 13.7 137 104 16.7 167 105 20.1 201 106 8.3 83 107 10.3 103 109 8.8 88 110 7.8 78 111 8.3 83 117 9.3 93 118 13.3 133 119 16.7 167 120 9.3 93 121 11.3 113 122 11.3 113 127 8.3 83 130 9.3 93 131 8.8 88 133 8.3 83 134 16.2 162 135 10.8 108 136 8.8 88 138 9.3 93 139 9.3 93 140 7.3 73 142 8.8 88 143 8.8 88 145 8.3 83 146 9.3 93 147 14.7 147 149 11.8 118 150 15.2 152 152 8.3 83 157 7.8 78 159 8.8 88 160 9.3 93 161 8.3 83 163 8.3 83 164 10.8 108 165 10.3 103 166 14.2 142 169 8.3 83 175 8.3 83 179 15.2 152 180 18.7 187 195 8.8 88 196 99.99 999 197 12.8 128 198 7.8 78 202 7.8 78 206 9.3 93 210 81.2 812 211 15.7 157 212 9.8 98 236 31 310 252 98 980 253 18.7 187 295 7.8 78 296 0.8 8 //