MassBank Record: JP003274



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

ACCESSION: JP003274
RECORD_TITLE: N,N-DIPROPYL-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$NAME: N,N-DIPROPYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H17N3O4 CH$EXACT_MASS: 267.12191 CH$SMILES: CCCN(CCC)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C12H17N3O4/c1-3-7-13(8-4-2)11-6-5-10(14(16)17)9-12(11)15(18)19/h5-6,9H,3-4,7-8H2,1-2H3
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$SPLASH: splash10-000j-1940000000-46aa966f7b21db98e5c8 PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 43 7.2 72 45 0.7 7 50 1.3 13 51 2.5 25 52 2.3 23 53 0.5 5 63 1.9 19 64 0.7 7 65 3.3 33 66 3.7 37 75 2.7 27 76 4.8 48 77 5.6 56 78 5.6 56 79 1.1 11 80 3.7 37 81 2.3 23 89 3.5 35 90 3.3 33 91 3.3 33 92 4.1 41 93 0.9 9 98 2.9 29 103 6.2 62 104 9.9 99 105 4.1 41 106 4.3 43 107 3.7 37 108 0.5 5 113 3.1 31 116 3.7 37 117 2.9 29 118 4.5 45 119 1.9 19 120 5.6 56 121 3.9 39 122 7 70 130 3.9 39 131 4.8 48 132 3.9 39 133 0.7 7 134 6.2 62 135 1.9 19 136 3.5 35 138 5.4 54 140 3.3 33 144 3.5 35 145 3.9 39 146 3.7 37 147 3.3 33 149 2.7 27 150 8 80 151 3.3 33 159 2.9 29 160 3.7 37 161 3.1 31 164 3.5 35 166 8.6 86 167 3.1 31 168 0.5 5 174 3.9 39 175 3.5 35 176 3.5 35 177 3.3 33 178 3.9 39 180 6 60 181 3.5 35 184 3.1 31 191 3.5 35 192 6.8 68 193 3.3 33 194 5 50 195 3.9 39 196 99.99 999 197 9.1 91 198 3.5 35 203 3.3 33 204 0.9 9 206 3.1 31 208 6 60 209 3.3 33 210 1.3 13 212 0.5 5 218 3.3 33 222 14.2 142 223 3.5 35 238 96.8 968 239 11.5 115 267 5.2 52 //