ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008168
RECORD_TITLE: 4-ETHYLNITROBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 4-ETHYLNITROBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: CCc(c1)ccc(c1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
CH$LINK: CAS 100-12-9
CH$LINK: INCHIKEY RESTWAHJFMZUIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9059206
AC$INSTRUMENT: HITACHI M-80
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: splash10-0zi0-5900000000-d5b6d3ed034277cda546
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  15 1.15 12
  27 4.17 42
  28 1.02 10
  29 1.69 17
  30 5.84 58
  31 3.4 34
  32 2.97 30
  38 0.87 9
  39 4.72 47
  46 1.65 17
  50 3.54 35
  51 6.36 64
  52 1.73 17
  53 1.92 19
  62 1.6 16
  63 5.29 53
  64 1.52 15
  65 3.2 32
  74 1.58 16
  75 1.59 16
  76 1.53 15
  77 27.28 273
  78 14.08 141
  79 22.44 224
  80 1.55 16
  89 5.85 59
  90 3.98 40
  91 6.11 61
  92 1.12 11
  93 9.11 91
  102 1.6 16
  103 16.01 160
  104 9.15 92
  105 55.85 559
  106 10.65 107
  107 1.27 13
  121 10.03 100
  122 0.96 10
  134 8.02 80
  135 2.77 28
  136 16.65 167
  137 1.34 13
  151 99.99 999
  152 9.63 96
  153 0.86 9
//
