ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009124
RECORD_TITLE: CYCLODODECYL FORMATE; 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$NAME: CYCLODODECYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₂
CH$EXACT_MASS: 212.17763
CH$SMILES: O=COC(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C13H24O2/c14-12-15-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
CH$LINK: INCHIKEY WGFQFIYJBLNXIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70866731

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$SPLASH: splash10-05o1-9100000000-39dfaf8f6e62600edbac
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  27 16.12 161
  28 3.41 34
  29 31.49 315
  30 1.01 10
  31 4.39 44
  39 18.07 181
  40 3.13 31
  41 76.42 764
  42 18.81 188
  43 31.18 312
  44 10.14 101
  45 3.93 39
  47 1.46 15
  53 8.56 86
  54 30.49 305
  55 77.53 775
  56 18.18 182
  57 40.54 405
  58 3.2 32
  65 1.74 17
  66 6.57 66
  67 62.99 630
  68 48.47 485
  69 40.07 401
  70 13.22 132
  71 9.55 96
  72 1.6 16
  77 1.35 14
  79 4.84 48
  80 4.58 46
  81 54.81 548
  82 99.99 999
  83 35.94 359
  84 6.74 67
  85 5.45 55
  93 1.56 16
  94 3.82 38
  95 39.53 395
  96 86.66 867
  97 25.63 256
  98 6.5 65
  99 1.66 17
  108 1.76 18
  109 26.25 263
  110 26.17 262
  111 6.55 66
  112 2.1 21
  122 1.05 11
  123 13.76 138
  124 13.47 135
  125 2.06 21
  137 5.93 59
  138 14.81 148
  139 1.55 16
  140 1.62 16
  151 1.23 12
  166 25.41 254
  167 3.76 38
//