ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001550
RECORD_TITLE: CYCLODODECANOL; 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$NAME: CYCLODODECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O
CH$EXACT_MASS: 184.18272
CH$SMILES: OC(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2
CH$LINK: INCHIKEY SFVWPXMPRCIVOK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027429

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$SPLASH: splash10-067l-9100000000-b7a488ce86cf3c38ed05
PK$NUM_PEAK: 67
PK$PEAK: m/z int. rel.int.
  15 1.39 14
  27 25.04 250
  28 9.21 92
  29 43.14 431
  30 1.86 19
  31 10.95 110
  39 21.96 220
  40 4.66 47
  41 97.28 973
  42 25.32 253
  43 46.92 469
  44 24.39 244
  45 10.37 104
  51 1.31 13
  53 9.79 98
  54 34.26 343
  55 96.71 967
  56 32.04 320
  57 64.66 647
  58 9.1 91
  59 2.3 23
  65 1.83 18
  66 13.18 132
  67 67.45 675
  68 69.31 693
  69 45.21 452
  70 20.75 208
  71 21.92 219
  72 7.49 75
  73 1.54 15
  77 1.35 14
  79 4.02 40
  80 4.23 42
  81 51 510
  82 99.99 999
  83 36.77 368
  84 12.71 127
  85 13.24 132
  86 2.82 28
  93 1.63 16
  94 2.95 30
  95 37.55 376
  96 58.94 589
  97 21.74 217
  98 10.3 103
  99 4.42 44
  100 1 10
  108 1.35 14
  109 20.39 204
  110 24.04 240
  111 9.98 100
  112 4.68 47
  113 1.8 18
  122 1.07 11
  123 10.65 107
  124 11.64 116
  125 2.37 24
  127 1.04 10
  137 6.02 60
  138 13.88 139
  139 1.97 20
  140 13.51 135
  141 2.39 24
  156 2.67 27
  166 12.71 127
  167 2.05 21
  184 1.3 13
//