MassBank Record: JP003270



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

ACCESSION: JP003270
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 CH$LINK: CAS 2044-88-4
AC$INSTRUMENT: VARIAN MAT-44 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0kdi-9200000000-e781ad70b4a4729292e9 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 51 90.34 903 52 63.63 636 53 24.43 244 54 16.47 165 55 11.93 119 58 38.63 386 61 10.79 108 62 27.27 273 63 61.93 619 64 27.27 273 65 24.43 244 66 52.84 528 67 18.18 182 68 3.97 40 72 2.84 28 74 17.61 176 75 26.13 261 76 65.34 653 77 44.88 449 78 99.99 999 79 28.97 290 80 13.06 131 81 2.27 23 88 2.27 23 90 7.38 74 91 5.68 57 92 14.77 148 93 20.45 205 94 7.38 74 103 8.52 85 104 48.86 489 105 81.25 813 106 13.63 136 118 3.97 40 120 2.84 28 121 7.38 74 133 4.54 45 134 3.4 34 150 2.27 23 197 9.09 91 //