ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008313
RECORD_TITLE: HEXADECALACTONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: HEXADECALACTONE
CH$NAME: 1-OXACYCLOHEPTADECANE-2-ONE
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$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0537-9200000000-8b37704b6f477b82520b
PK$NUM_PEAK: 140
PK$PEAK: m/z int. rel.int.
  27 11.88 119
  28 4.61 46
  29 32.39 324
  31 0.88 9
  39 11.17 112
  40 3.61 36
  41 83.66 837
  42 21.91 219
  43 50.88 509
  44 1.92 19
  45 1.5 15
  53 4.7 47
  54 12.08 121
  55 99.99 999
  56 33.18 332
  57 31.28 313
  58 8.08 81
  59 3.74 37
  60 8.69 87
  61 4.53 45
  65 0.5 5
  66 2.11 21
  67 20 200
  68 23.22 232
  69 57.49 575
  70 27.48 275
  71 20.53 205
  72 1.24 12
  73 17.47 175
  74 1.8 18
  79 2.75 28
  80 4.06 41
  81 23.39 234
  82 41.65 417
  83 56.63 566
  84 30.74 307
  85 8.33 83
  86 0.9 9
  87 5.19 52
  91 1.12 11
  93 1.99 20
  94 4.04 40
  95 16.15 162
  96 34.53 345
  97 37.35 374
  98 27.67 277
  99 4.56 46
  100 4.22 42
  101 7.87 79
  102 1.35 14
  105 0.35 4
  107 1.8 18
  108 2.87 29
  109 10.22 102
  110 14.11 141
  111 18.29 183
  112 8.43 84
  113 5.26 53
  114 7.39 74
  115 5.21 52
  116 6.21 62
  117 0.46 5
  119 2.07 21
  120 0.48 5
  121 2.41 24
  122 2.31 23
  123 9.23 92
  124 11.14 111
  125 9.32 93
  126 4.18 42
  127 5.58 56
  128 1.95 20
  129 6.94 69
  130 1.2 12
  133 1.91 19
  134 1.63 16
  135 2.54 25
  136 1.73 17
  137 5.91 59
  138 8.7 87
  139 5.55 56
  140 2.62 26
  141 2.33 23
  142 1.24 12
  143 1.72 17
  144 0.41 4
  147 1.1 11
  148 1.78 18
  149 2.14 21
  150 1 10
  151 4.74 47
  152 7.37 74
  153 3.35 34
  154 1.36 14
  155 2 20
  156 0.72 7
  157 0.59 6
  158 1.32 13
  161 0.94 9
  162 0.42 4
  163 0.67 7
  164 0.9 9
  165 3.46 35
  166 4.08 41
  167 1.82 18
  168 0.34 3
  169 1.01 10
  171 0.95 10
  172 2.02 20
  173 0.45 5
  175 0.47 5
  179 2.03 20
  180 1.06 11
  181 1.11 11
  182 0.65 7
  183 0.46 5
  185 2.27 23
  186 1.1 11
  187 0.63 6
  189 0.27 3
  190 0.37 4
  192 3.67 37
  193 2.17 22
  194 7.5 75
  195 1.99 20
  197 0.8 8
  207 1.09 11
  208 2.41 24
  209 0.35 4
  211 1.92 19
  212 0.16 2
  218 1.88 19
  219 0.38 4
  225 0.46 5
  226 0.28 3
  236 12.15 122
  237 2.26 23
  253 0.28 3
  254 8.59 86
  255 1.77 18
//