MassBank Record: JP003281



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

ACCESSION: JP003281
RECORD_TITLE: N-ISOBUTYL-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$NAME: N-ISOBUTYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3O4 CH$EXACT_MASS: 239.09061 CH$SMILES: CC(C)CNc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C10H13N3O4/c1-7(2)6-11-9-4-3-8(12(14)15)5-10(9)13(16)17/h3-5,7,11H,6H2,1-2H3
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$SPLASH: splash10-0002-4900000000-a4c813683ee82d64338c PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 43 18.8 188 50 3.5 35 51 8.3 83 52 5.9 59 53 2.3 23 62 5.3 53 63 5.9 59 64 2 20 65 9.2 92 66 5.6 56 74 1.7 17 75 6.8 68 76 10.4 104 77 11.6 116 78 10.4 104 79 1.4 14 80 5.3 53 90 5.6 56 91 4.1 41 92 9.5 95 93 1.7 17 102 5 50 103 5.9 59 104 14.3 143 105 5 50 106 5 50 107 4.4 44 108 2 20 117 5 50 118 5.6 56 119 2 20 120 9.5 95 121 2 20 122 11.3 113 130 4.7 47 133 5 50 134 6.2 62 136 5 50 138 6.8 68 149 2.6 26 150 17.3 173 160 4.7 47 166 14 140 167 5.3 53 179 2.6 26 180 8.6 86 196 99.99 999 197 6.2 62 239 10.4 104 240 1.4 14 //