ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004145
RECORD_TITLE: N-PARA-OCTYLPHENYL-2-PYRROLIDONE; 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$NAME: N-PARA-OCTYLPHENYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₇NO
CH$EXACT_MASS: 273.20926
CH$SMILES: CCCCCCCCc(c2)ccc(c2)N(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C18H27NO/c1-2-3-4-5-6-7-9-16-11-13-17(14-12-16)19-15-8-10-18(19)20/h11-14H,2-10,15H2,1H3
CH$LINK: INCHIKEY WMYDRTMKLYXZES-UHFFFAOYSA-N

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$SPLASH: splash10-00di-2920000000-2c871321c19cb9666418
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
  26 0.3 3
  27 3.6 36
  28 1.6 16
  29 0.52 5
  30 0.3 3
  40 2.8 28
  41 11.8 118
  42 0.05 1
  43 5.2 52
  44 1.3 13
  45 0.2 2
  50 0.02 0
  51 1 10
  52 0.4 4
  53 0.6 6
  54 0.02 0
  55 2.1 21
  56 0.3 3
  57 1.6 16
  58 0.01 0
  62 0.1 1
  63 0.6 6
  64 0.4 4
  65 0.15 2
  66 0.3 3
  67 0.3 3
  68 0.2 2
  69 0.76 8
  70 0.4 4
  71 0.2 2
  75 0.2 2
  76 0.04 0
  77 3.2 32
  78 1.6 16
  79 0.8 8
  80 0.02 0
  86 0.1 1
  87 0.1 1
  88 0.1 1
  89 0.19 2
  90 4.4 44
  91 4.6 46
  92 1 10
  93 0.03 0
  94 0.2 2
  101 0.1 1
  102 0.5 5
  103 0.18 2
  104 1.8 18
  105 1.6 16
  106 10.6 106
  107 0.13 1
  108 0.1 1
  114 0.1 1
  115 1.4 14
  116 0.1 1
  117 2.3 23
  118 6.4 64
  119 7.6 76
  120 0.23 2
  121 0.2 2
  127 0.2 2
  128 0.4 4
  129 0.06 1
  130 1.7 17
  131 2.8 28
  132 6.8 68
  133 0.13 1
  134 0.2 2
  141 0.1 1
  142 0.2 2
  143 0.05 1
  144 1.6 16
  145 1.2 12
  146 2.7 27
  147 0.05 1
  156 0.2 2
  157 0.1 1
  158 0.4 4
  159 0.02 0
  160 0.7 7
  161 0.4 4
  162 0.8 8
  163 0.01 0
  170 0.2 2
  171 0.1 1
  172 0.3 3
  173 0.04 0
  174 99.99 999
  175 16 160
  176 1.3 13
  186 0.01 0
  187 3 30
  188 3.2 32
  189 0.8 8
  190 0.01 0
  199 0.1 1
  200 0.5 5
  201 0.4 4
  202 0.05 1
  216 0.6 6
  217 0.2 2
  218 3.4 34
  219 0.08 1
  220 0.1 1
  230 0.5 5
  231 0.2 2
  244 0.03 0
  245 0.1 1
  258 0.2 2
  259 0.1 1
  272 0.09 1
  273 38.4 384
  274 10.8 108
  275 1.2 12
  276 0.1 1
//