ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006567
RECORD_TITLE: CYCLODODECANOL; 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$NAME: CYCLODODECANOL
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0apl-9000000000-5987d46e0de87f305dc4
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 23.42 234
  29 38.99 390
  30 1.44 14
  31 8.27 83
  39 22.74 227
  40 2.74 27
  41 99.99 999
  42 28.24 282
  43 42.05 421
  44 22.42 224
  45 7.99 80
  51 1.08 11
  53 8.14 81
  54 30.72 307
  55 82.34 823
  56 27.08 271
  57 73.21 732
  58 7.72 77
  59 1.38 14
  65 1.68 17
  66 10.2 102
  67 64.15 642
  68 57.36 574
  69 38.36 384
  70 15.87 159
  71 21.69 217
  72 5.43 54
  77 1.37 14
  79 4.07 41
  80 3.32 33
  81 47.96 480
  82 88.66 887
  83 31.36 314
  84 10.24 102
  85 11.18 112
  86 2.07 21
  93 1.37 14
  94 2.31 23
  95 35.98 360
  96 52.07 521
  97 14 140
  98 7.47 75
  99 3.54 35
  109 15.18 152
  110 22.23 222
  111 7.15 72
  112 3.4 34
  113 1.44 14
  123 7.32 73
  124 9.36 94
  125 1.7 17
  137 4.51 45
  138 9.34 93
  139 1.18 12
  140 8.63 86
  141 1.31 13
  156 1.44 14
  166 5.56 56
//