ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006597
RECORD_TITLE: CYCLODODECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: CYCLODODECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O
CH$EXACT_MASS: 182.16707
CH$SMILES: O=C(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
CH$LINK: INCHIKEY SXVPOSFURRDKBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027322

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$SPLASH: splash10-052f-9100000000-ee6ff0fc7fa019b3a4b8
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  15 1.61 16
  26 1.46 15
  27 31.53 315
  28 11.39 114
  29 34.02 340
  31 1.11 11
  32 1.47 15
  39 31.45 315
  40 5.13 51
  41 99.99 999
  42 34.52 345
  43 34.57 346
  44 1.39 14
  51 1.28 13
  53 8.7 87
  54 10.56 106
  55 78.32 783
  56 23.62 236
  57 9.94 99
  58 51.24 512
  59 13.02 130
  65 1.37 14
  66 1.69 17
  67 12.93 129
  68 10.57 106
  69 27.84 278
  70 16.2 162
  71 49.9 499
  72 3.39 34
  77 1.35 14
  78 1.25 13
  79 5.99 60
  80 4.83 48
  81 11.31 113
  82 20.96 210
  83 21.95 220
  84 17.93 179
  85 4.85 49
  86 1.42 14
  93 4.15 42
  94 2.97 30
  95 5.78 58
  96 8.99 90
  97 16.86 169
  98 32.24 322
  99 3.9 39
  100 2.28 23
  107 2.62 26
  108 3.09 31
  109 2.06 21
  110 1.14 11
  111 22.39 224
  112 5.81 58
  113 1.38 14
  114 1.97 20
  121 3.06 31
  122 5.63 56
  123 1.37 14
  124 6.9 69
  125 11.02 110
  126 2.9 29
  127 1.48 15
  135 3.43 34
  139 6.07 61
  140 1.12 11
  149 1.38 14
  182 13.01 130
  183 1.89 19
//