ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004151
RECORD_TITLE: N-OCTYL-EPSILON-CAPROLACTAM; 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$NAME: N-OCTYL-EPSILON-CAPROLACTAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₇NO
CH$EXACT_MASS: 225.20926
CH$SMILES: CCCCCCCCN(C1)C(=O)CCCC1
CH$IUPAC: InChI=1S/C14H27NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14(15)16/h2-13H2,1H3
CH$LINK: INCHIKEY VKAMZEDHHWTTNZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00373009

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$SPLASH: splash10-004i-9800000000-3d12a7287a36a3650fc0
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  26 0.4 4
  27 7.4 74
  28 6.6 66
  29 1.18 12
  30 10.6 106
  31 0.3 3
  32 0.4 4
  38 0.01 0
  39 5.4 54
  40 1.2 12
  41 31.2 312
  42 1.46 15
  43 16.2 162
  44 19.2 192
  45 0.6 6
  46 0.01 0
  51 0.3 3
  52 0.1 1
  53 1.7 17
  54 0.19 2
  55 20 200
  56 8 80
  57 7.4 74
  58 0.18 2
  59 0.4 4
  60 0.6 6
  65 0.4 4
  66 0.03 0
  67 4.6 46
  68 2 20
  69 14 140
  70 0.6 6
  71 2.8 28
  72 1.5 15
  73 1.9 19
  74 0.01 0
  79 0.7 7
  80 0.4 4
  81 1.7 17
  82 0.12 1
  83 1.3 13
  84 5.2 52
  85 24.2 242
  86 0.25 3
  87 1.2 12
  93 0.1 1
  94 0.4 4
  95 0.14 1
  96 2.1 21
  97 2.1 21
  98 51.8 518
  99 0.78 8
  100 1.5 15
  101 0.6 6
  105 0.1 1
  106 0.02 0
  107 0.1 1
  108 0.4 4
  109 0.3 3
  110 0.05 1
  111 0.5 5
  112 5.2 52
  113 10.4 104
  114 1.2 12
  115 1.2 12
  116 0.2 2
  117 0.1 1
  124 0.04 0
  125 0.4 4
  126 99.99 999
  127 44 440
  128 0.54 5
  129 0.6 6
  130 0.3 3
  131 0.1 1
  132 0.01 0
  133 0.1 1
  138 0.5 5
  139 0.2 2
  140 2.32 23
  141 6.2 62
  142 2.3 23
  143 0.3 3
  144 0.01 0
  152 0.3 3
  153 0.1 1
  154 11.8 118
  155 0.9 9
  156 2 20
  157 0.2 2
  158 0.1 1
  166 0.02 0
  167 0.1 1
  168 7.6 76
  169 12 120
  170 0.15 2
  171 1.4 14
  172 0.2 2
  180 0.1 1
  181 0.01 0
  182 13.8 138
  183 2.5 25
  184 1 10
  185 0.02 0
  191 0.1 1
  192 0.1 1
  193 0.1 1
  194 0.01 0
  195 0.1 1
  196 5.4 54
  197 1.2 12
  198 0.04 0
  208 0.3 3
  209 0.1 1
  210 2 20
  211 0.03 0
  212 0.1 1
  223 0.3 3
  224 1.4 14
  225 2.84 28
  226 5.2 52
  227 0.7 7
//