MassBank Record: JP001614



 2-METHYL-1,3-DINITROBENZENE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001614
RECORD_TITLE: 2-METHYL-1,3-DINITROBENZENE; 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$NAME: 2-METHYL-1,3-DINITROBENZENE CH$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$INSTRUMENT: VARIAN MAT-44 AC$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$SPLASH: splash10-0ik9-9100000000-98b3a575488a74c908f0 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 40 11.27 113 41 3.42 34 42 4.7 47 43 46.01 460 44 2.14 21 45 1.27 13 46 20.39 204 49 4.64 46 50 40.26 403 51 72.16 722 52 42.47 425 53 14.29 143 54 2.49 25 55 2.03 20 60 1.74 17 61 9.93 99 62 32.82 328 63 99.99 999 64 41.89 419 65 10.51 105 66 7.03 70 67 1.56 16 73 1.74 17 74 11.09 111 75 22.42 224 76 14.11 141 77 34.04 340 78 27.71 277 79 9.41 94 80 2.38 24 85 1.62 16 86 4.12 41 87 3.89 39 88 2.96 30 89 47.64 476 90 31.66 317 91 17.43 174 92 3.89 39 93 1.27 13 104 4.35 44 105 2.49 25 106 3.07 31 107 3.89 39 108 5.34 53 117 1.1 11 118 2.44 24 119 3.13 31 121 10.05 101 134 2.49 25 135 6.62 66 148 8.25 83 164 2.2 22 165 34.28 343 166 3.25 33 182 0.87 9 183 0.11 1 //