MassBank Record: JP003275



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

ACCESSION: JP003275
RECORD_TITLE: N,N-DIMETHYL-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$NAME: N,N-DIMETHYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H9N3O4 CH$EXACT_MASS: 211.05931 CH$SMILES: CN(C)c(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C8H9N3O4/c1-9(2)7-4-3-6(10(12)13)5-8(7)11(14)15/h3-5H,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$SPLASH: splash10-014r-3900000000-df6492cfef0b93c05934 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 42 2.9 29 50 8.6 86 51 13.7 137 52 5.9 59 54 4.4 44 61 4 40 62 2.1 21 63 15 150 65 17.3 173 66 14.4 144 74 4.6 46 75 5.7 57 76 12.2 122 77 15 150 78 25.2 252 79 6.9 69 80 6.3 63 88 4.4 44 89 5.9 59 90 10.8 108 91 22.2 222 92 19.2 192 102 3.6 36 103 6.7 67 104 13.1 131 105 6.7 67 106 44.9 449 107 4.4 44 116 3.6 36 117 20.3 203 118 75.8 758 119 56.7 567 120 33.2 332 121 5.2 52 122 4 40 131 3.6 36 132 5.2 52 133 6.3 63 134 6.9 69 135 2.1 21 136 99.99 999 137 11 110 147 4.8 48 148 55.2 552 149 12.9 129 150 3.8 38 163 7.4 74 164 26.4 264 165 3.8 38 166 25 250 167 4.8 48 177 3.3 33 178 4 40 179 4 40 180 3.3 33 181 4.6 46 194 52.9 529 195 8.2 82 211 27.3 273 212 1.6 16 //