ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$LINK: CAS 606-20-2
CH$LINK: INCHIKEY XTRDKALNCIHHNI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020528

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
//