MassBank Record: JP003284



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

ACCESSION: JP003284
RECORD_TITLE: N,N-DIBUTYL-2,4-DINITROBENZENAMINE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N,N-DIBUTYL-2,4-DINITROBENZENAMINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H21N3O4 CH$EXACT_MASS: 295.15321 CH$SMILES: CCCCN(CCCC)c(c1)c([N+1]([O-1])=O)cc([N+1]([O-1])=O)c1 CH$IUPAC: InChI=1S/C14H21N3O4/c1-3-5-9-15(10-6-4-2)13-8-7-12(16(18)19)11-14(13)17(20)21/h7-8,11H,3-6,9-10H2,1-2H3 CH$LINK: INCHIKEY CYRRWDPFDBUXIP-UHFFFAOYSA-N
AC$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: splash10-0a4i-9510000000-be52b366495a5b5dfe6f PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 52 5.1 51 54 4.5 45 55 1.6 16 57 99.99 999 58 5.3 53 64 2.1 21 66 4.3 43 69 1.3 13 70 4.3 43 73 3.2 32 75 5.1 51 76 7.2 72 77 4.3 43 78 1.8 18 79 4.5 45 82 4.8 48 91 1.6 16 92 5.1 51 93 4.5 45 94 4.3 43 95 2.9 29 103 4.8 48 104 5.3 53 105 3.7 37 118 4.3 43 119 4.8 48 133 4 40 136 4.3 43 139 4.5 45 149 5.1 51 150 5.3 53 166 6.1 61 179 4.3 43 180 4.8 48 196 37.6 376 222 5.1 51 252 25.8 258 253 5.1 51 //