MassBank Record: JP003282



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

ACCESSION: JP003282
RECORD_TITLE: N-SEC-BUTYL-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$NAME: N-SEC-BUTYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H13N3O4 CH$EXACT_MASS: 239.09061 CH$SMILES: CCC(C)Nc(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C10H13N3O4/c1-3-7(2)11-9-5-4-8(12(14)15)6-10(9)13(16)17/h4-7,11H,3H2,1-2H3
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$SPLASH: splash10-03di-7940000000-1cf12e7b5d4479f0b7bf PK$NUM_PEAK: 69 PK$PEAK: m/z int. rel.int. 45 3.1 31 50 5.2 52 51 6.2 62 52 11.8 118 53 8 80 54 5.9 59 56 3.7 37 57 8.3 83 62 6.2 62 63 13 130 64 6.5 65 65 13 130 66 6.2 62 67 6.5 65 69 1.5 15 73 5.2 52 74 6.2 62 75 14.9 149 76 10.8 108 77 7.7 77 78 5.5 55 79 9.6 96 80 5.5 55 81 5.2 52 89 8.3 83 90 7.1 71 91 18.6 186 92 6.8 68 93 5.5 55 94 7.4 74 95 6.2 62 103 5.9 59 104 5.9 59 105 6.5 65 106 7.1 71 107 7.1 71 116 5.2 52 117 17 170 118 31.3 313 119 9.3 93 120 5.5 55 122 5.2 52 128 4.9 49 130 4.9 49 131 6.2 62 132 5.9 59 133 5.2 52 134 38.8 388 135 3.4 34 146 5.2 52 147 5.5 55 149 9.6 96 150 4.9 49 152 5.9 59 163 8.3 83 164 28.2 282 165 6.5 65 166 5.5 55 178 5.2 52 180 9.9 99 192 5.9 59 194 5.5 55 209 4.6 46 210 99.99 999 211 9.3 93 212 5.2 52 224 6.2 62 239 13.6 136 240 1.1 11 //