ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008623
RECORD_TITLE: 5-CYCLOHEXADECENONE; 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$NAME: 5-CYCLOHEXADECENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₈O
CH$EXACT_MASS: 236.21402
CH$SMILES: O=C(C1)CCCC=CCCCCCCCCC1
CH$IUPAC: InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-
CH$LINK: INCHIKEY ABRIMXGLNHCLIP-VURMDHGXSA-N

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$SPLASH: splash10-05nf-9100000000-a8132656cf02452a93ff
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  15 1.1 11
  27 17.12 171
  29 24.87 249
  31 1.08 11
  39 21.96 220
  41 99.99 999
  42 16.2 162
  43 35.23 352
  51 1.85 19
  52 1.81 18
  53 16.18 162
  54 38.32 383
  55 80.31 803
  56 9.13 91
  57 7.79 78
  58 15.14 151
  59 3.83 38
  65 4.5 45
  66 4.8 48
  67 58.65 587
  68 44.26 443
  69 23.32 233
  70 7.23 72
  71 26.19 262
  72 2.22 22
  77 4.72 47
  78 2.39 24
  79 16.63 166
  80 17.18 172
  81 45.22 452
  82 31.21 312
  83 18.04 180
  84 20.39 204
  85 5.1 51
  91 4.13 41
  92 2.61 26
  93 9.51 95
  94 12.25 123
  95 31.83 318
  96 17.89 179
  97 22.56 226
  98 14.17 142
  99 2.84 28
  105 2.05 21
  106 1.41 14
  107 6.48 65
  108 8.82 88
  109 13.23 132
  110 8.59 86
  111 10.58 106
  112 4.49 45
  113 1.35 14
  119 2.36 24
  120 1.71 17
  121 7.85 79
  122 7.01 70
  123 8.44 84
  124 5.54 55
  125 5.3 53
  126 1.94 19
  133 2.84 28
  134 1.98 20
  135 6.89 69
  136 4.21 42
  137 5.3 53
  138 2.54 25
  139 2.6 26
  140 1.36 14
  147 2.63 26
  148 1.46 15
  149 3.46 35
  150 1.89 19
  151 3.05 31
  152 2.82 28
  153 1.27 13
  154 1.47 15
  161 2.07 21
  163 1.37 14
  164 1.21 12
  165 2.96 30
  175 1.85 19
  176 1.23 12
  178 2.37 24
  179 1.69 17
  189 1.44 14
  193 2.39 24
  194 1.09 11
  207 2.16 22
  236 30.59 306
  237 5.04 50
//