MassBank Record: JP000945



 2,6-DINITROTOLUENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000945
RECORD_TITLE: 2,6-DINITROTOLUENE; 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$NAME: 2,6-DINITROTOLUENE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H6N2O4 CH$EXACT_MASS: 182.03276 CH$SMILES: [O-1][N+1](=O)c(c1)c(C)c(cc1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3 CH$LINK: CAS 606-20-2
AC$INSTRUMENT: JEOL JMS-01-SG 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: splash10-014i-9700000000-4d618a3a2f517ba87258 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 43 11.6 116 46 2.2 22 50 22.2 222 52 1.31 13 53 5.1 51 61 4.3 43 62 13.1 131 63 4.77 48 64 21 210 65 5.7 57 66 3.9 39 74 0.66 7 75 14.8 148 76 9.3 93 77 23.9 239 78 2.08 21 79 9.4 94 80 2.6 26 86 2.6 26 87 0.34 3 89 41.7 417 90 30.4 304 91 18.2 182 92 0.49 5 93 2.5 25 104 8.5 85 105 3.2 32 106 0.48 5 107 5.6 56 108 6.9 69 117 2.2 22 118 0.43 4 119 4.5 45 121 18.7 187 122 2 20 134 0.63 6 135 13.4 134 148 17 170 149 2.6 26 152 0.34 3 165 99.99 999 166 9.7 97 182 2.5 25 //