MassBank Record: JP003279



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

ACCESSION: JP003279
RECORD_TITLE: N-METHYL-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$NAME: N-METHYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H7N3O4 CH$EXACT_MASS: 197.04366 CH$SMILES: CNc(c1)c([N+1]([O-1])=O)cc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C7H7N3O4/c1-8-6-3-2-5(9(11)12)4-7(6)10(13)14/h2-4,8H,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$SPLASH: splash10-0kdj-9800000000-69f3e74d6398836429ed PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 41 5 50 42 5.5 55 43 3.6 36 44 14.5 145 45 2.9 29 46 2.5 25 50 16.4 164 51 24.2 242 52 16.8 168 53 6.1 61 54 5.3 53 55 5.2 52 57 2.8 28 61 3.4 34 62 9.4 94 63 24.2 242 64 9.4 94 65 9.7 97 66 21.9 219 67 8 80 74 8.9 89 75 12.6 126 76 33.2 332 77 23.5 235 78 59.7 597 79 16.5 165 80 7.4 74 81 2.8 28 88 2.8 28 89 2.3 23 90 6.3 63 91 5.2 52 92 13.2 132 93 18.7 187 94 6.9 69 102 2.6 26 103 7.7 77 104 49.2 492 105 99.99 999 106 13.7 137 107 2.6 26 118 6.3 63 119 2.9 29 120 6.4 64 121 12.9 129 122 2.9 29 133 12.1 121 134 8.8 88 135 2.6 26 137 2.6 26 149 6.1 61 150 9.3 93 151 2.6 26 152 3.3 33 163 2.6 26 167 2.6 26 179 5 50 180 5 50 181 4.4 44 197 89.1 891 198 10 100 199 2.6 26 //