ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009211
RECORD_TITLE: CYCLOPENTADECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLOPENTADECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₈O
CH$EXACT_MASS: 224.21402
CH$SMILES: O=C(C1)CCCCCCCCCCCCC1
CH$IUPAC: InChI=1S/C15H28O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-14H2
CH$LINK: INCHIKEY OSOIQJGOYGSIMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047141

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9100000000-f2196c24c51674809d3d
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  27 16.96 170
  29 32.56 326
  39 18.22 182
  41 99.99 999
  42 29.84 298
  43 43.44 434
  53 7.11 71
  54 12.78 128
  55 92.71 927
  56 22.29 223
  57 16.95 170
  58 67.74 677
  59 27.93 279
  65 1.39 14
  66 1.8 18
  67 20.88 209
  68 16.74 167
  69 33.07 331
  70 16.45 165
  71 72.13 721
  72 5.84 58
  77 1.43 14
  78 1.03 10
  79 5.37 54
  80 10.47 105
  81 19.62 196
  82 26.3 263
  83 24.42 244
  84 17.39 174
  85 11.46 115
  86 1.44 14
  93 4.08 41
  94 8.87 89
  95 14.33 143
  96 24.06 241
  97 19.24 192
  98 21.43 214
  99 3.32 33
  100 3.02 30
  107 3.29 33
  108 5.6 56
  109 5.56 56
  110 13.04 130
  111 14.26 143
  112 3.88 39
  113 2.87 29
  114 1.92 19
  121 5.98 60
  122 3.51 35
  123 3.31 33
  124 6.72 67
  125 14.53 145
  126 1.73 17
  127 2.7 27
  128 2.3 23
  135 6.33 63
  136 2.66 27
  137 1.95 20
  138 3 30
  139 2.77 28
  141 1.26 13
  142 2.49 25
  149 4.23 42
  150 2.01 20
  153 1.03 10
  156 1.39 14
  163 2.37 24
  164 3.35 34
  166 5.93 59
  167 1.78 18
  169 1.01 10
  177 1.31 13
  181 1.59 16
  206 2.87 29
  209 1.22 12
  224 17.83 178
  225 2.95 30
//