ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001373
RECORD_TITLE: 3,5-DI-T-BUTYL-NITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 3,5-DI-T-BUTYL-NITROBENZENE
CH$NAME: 1,3-DI-TERT-BUTYL-5-NITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₁NO₂
CH$EXACT_MASS: 235.15723
CH$SMILES: [O-1][N+1](=O)c(c1)cc(cc1C(C)(C)C)C(C)(C)C
CH$IUPAC: InChI=1S/C14H21NO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9H,1-6H3
CH$LINK: INCHIKEY LUYJFRAXBOUNPV-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-7590000000-bffbcd520343a7138caf
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  40 7.68 77
  43 2.41 24
  51 2.79 28
  53 2.78 28
  55 3.92 39
  57 49.58 496
  58 2.39 24
  63 1.71 17
  64 2.38 24
  65 3.04 30
  67 1 10
  71 1.09 11
  75 1.3 13
  77 4.55 46
  78 1.26 13
  79 1.89 19
  88 3.89 39
  89 2.6 26
  91 7.44 74
  102 3.81 38
  103 3.95 40
  105 2.73 27
  115 5.5 55
  116 2.44 24
  117 1.72 17
  118 1.23 12
  127 1.29 13
  128 4.27 43
  129 3.95 40
  130 1.49 15
  131 4.26 43
  132 1.09 11
  133 3 30
  141 1.32 13
  142 1.04 10
  143 1.92 19
  144 1.7 17
  147 1.5 15
  158 1.08 11
  159 4.83 48
  174 1.5 15
  189 1.32 13
  192 12.51 125
  193 1.6 16
  195 3.9 39
  204 1.07 11
  210 1.66 17
  220 99.99 999
  221 15.29 153
  222 1.7 17
  235 10.54 105
  236 2.12 21
//