ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008720
RECORD_TITLE: CYCLOHEXADECANOLIDE; 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$NAME: CYCLOHEXADECANOLIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₀O₂
CH$EXACT_MASS: 254.22458
CH$SMILES: O=C(C1)OCCCCCCCCCCCCCC1
CH$IUPAC: InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2
CH$LINK: INCHIKEY LOKPJYNMYCVCRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4047622

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$SPLASH: splash10-0536-9200000000-49fcef62c52ad36c82ba
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  27 11.4 114
  28 4.72 47
  29 31.21 312
  31 2.46 25
  39 10.9 109
  40 3.11 31
  41 86.51 865
  42 26.23 262
  43 44.8 448
  44 2.03 20
  45 2.8 28
  53 5.72 57
  54 11.06 111
  55 99.99 999
  56 28.32 283
  57 21.58 216
  58 6.37 64
  59 3.37 34
  60 8.39 84
  61 3.7 37
  65 1.23 12
  66 2.16 22
  67 18.86 189
  68 19.47 195
  69 60.25 603
  70 19.38 194
  71 14.07 141
  72 1.49 15
  73 12.91 129
  74 1.53 15
  79 3.25 33
  80 3.1 31
  81 17.42 174
  82 33.96 340
  83 45.74 457
  84 22.51 225
  85 6.05 61
  87 4.99 50
  93 2.22 22
  94 3.3 33
  95 13.97 140
  96 29.59 296
  97 36.03 360
  98 20.5 205
  99 3.42 34
  100 3.69 37
  101 5.97 60
  102 1.64 16
  107 1.66 17
  108 2.62 26
  109 8.24 82
  110 12.49 125
  111 13.14 131
  112 6.66 67
  113 3.81 38
  114 6.27 63
  115 3.87 39
  116 4.59 46
  121 1.32 13
  122 1.94 19
  123 7.1 71
  124 7.97 80
  125 6.63 66
  126 3.23 32
  127 4.78 48
  128 1.56 16
  129 5.72 57
  133 1.56 16
  134 1.91 19
  135 1.87 19
  136 1.73 17
  137 5.05 51
  138 6.09 61
  139 4.06 41
  140 1.76 18
  141 1.8 18
  143 1.7 17
  147 1.36 14
  148 1.31 13
  149 1.29 13
  151 3.64 36
  152 5.33 53
  153 2.56 26
  154 1.28 13
  155 1.41 14
  158 1.3 13
  165 2.82 28
  166 3.41 34
  167 1.43 14
  172 1.79 18
  179 1.77 18
  185 2.03 20
  192 3.13 31
  193 1.9 19
  194 6.19 62
  208 2.14 21
  236 9.42 94
  237 2.01 20
  254 8.62 86
  255 1.89 19
//