ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001548
RECORD_TITLE: CYCLODODECANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S 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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4l-9100000000-9ec8a117768df777e2ed
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  15 1.01 10
  26 1.44 14
  27 30.05 301
  28 13.79 138
  29 37.02 370
  30 1.13 11
  31 1.55 16
  39 26.14 261
  40 6.02 60
  41 99.99 999
  42 31.7 317
  43 1.72 17
  44 1.39 14
  51 1.29 13
  52 1.01 10
  53 9.94 99
  54 14.34 143
  55 84.13 841
  56 30.21 302
  57 14.87 149
  58 73.17 732
  59 23.25 233
  60 1.08 11
  65 1.89 19
  66 2.62 26
  67 20.35 204
  68 19.02 190
  69 34.05 341
  70 19.49 195
  71 68.48 685
  72 7.3 73
  77 1.68 17
  78 1.58 16
  79 7.84 78
  80 8.17 82
  81 19.41 194
  82 33.65 337
  83 28.25 283
  84 23.48 235
  85 8.55 86
  86 3.06 31
  91 1.01 10
  93 7.09 71
  94 6.02 60
  95 11.67 117
  96 15.49 155
  97 24.57 246
  98 45.86 459
  99 7.16 72
  100 4.86 49
  107 5.13 51
  108 5.77 58
  109 4.45 45
  110 3.02 30
  111 31.54 315
  112 11.71 117
  113 2.97 30
  114 4.53 45
  121 5.23 52
  122 10.24 102
  123 2.97 30
  124 15.68 157
  125 19.33 193
  126 6.42 64
  127 2.82 28
  135 6.18 62
  136 1.44 14
  138 1.15 12
  139 12.02 120
  140 2.57 26
  141 1.06 11
  149 2.45 25
  153 2.12 21
  154 1.86 19
  165 2.13 21
  167 2.12 21
  182 31.07 311
  183 4.65 47
//