ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004178
RECORD_TITLE: 4-OCTYLANILINE; 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$NAME: 4-OCTYLANILINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₃N
CH$EXACT_MASS: 205.18305
CH$SMILES: CCCCCCCCc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
CH$LINK: INCHIKEY ORKQJTBYQZITLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022266

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0a4i-1920000000-47fafcdbfd99057f1a45
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  25 0.1 1
  26 0.1 1
  27 1.5 15
  28 0.09 1
  29 1.9 19
  30 0.4 4
  38 0.1 1
  39 0.14 1
  40 0.2 2
  41 2.7 27
  42 0.5 5
  43 0.15 2
  44 0.1 1
  50 0.1 1
  51 0.6 6
  52 0.06 1
  53 0.7 7
  54 0.5 5
  55 0.9 9
  56 0.01 0
  57 0.5 5
  63 0.3 3
  64 0.2 2
  65 0.12 1
  66 0.6 6
  67 0.4 4
  69 0.3 3
  75 0.02 0
  76 0.1 1
  77 3.8 38
  78 1.9 19
  79 0.21 2
  80 0.6 6
  81 0.1 1
  89 0.4 4
  90 0.02 0
  91 1 10
  92 1.2 12
  93 1.3 13
  94 0.06 1
  95 0.1 1
  101 0.1 1
  102 0.1 1
  103 0.05 1
  104 0.8 8
  105 0.7 7
  106 99.99 999
  107 1.14 11
  108 0.7 7
  109 0.1 1
  115 0.3 3
  116 0.02 0
  117 0.6 6
  118 1.1 11
  119 2.2 22
  120 0.2 2
  121 1.3 13
  122 0.2 2
  130 0.4 4
  131 0.02 0
  132 0.9 9
  133 0.3 3
  134 0.3 3
  135 0.01 0
  204 0.3 3
  205 21 210
  206 3.2 32
  207 0.3 3
//