MassBank Record: JP003271



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

ACCESSION: JP003271
RECORD_TITLE: N-METHYL-2,4-DINITROBENZENAMINE; CI-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$INSTRUMENT_TYPE: CI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-001i-0900000000-f6f16c38b4be4b482e84 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 107 5.08 51 112 1.69 17 113 1.69 17 123 3.38 34 127 3.38 34 128 6.77 68 129 15.25 153 130 99.99 999 131 52.54 525 132 6.77 68 168 3.38 34 169 1.69 17 197 1.69 17 198 32.2 322 199 16.94 169 //