ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004619
RECORD_TITLE: (7E,11E)-1-(2-HYDROXYETHYL)-2,3-EPOXY-1,7,11-TRIMETHYLCYCLOTETRADECADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (7E,11E)-1-(2-HYDROXYETHYL)-2,3-EPOXY-1,7,11-TRIMETHYLCYCLOTETRADECADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂O₂
CH$EXACT_MASS: 292.24023
CH$SMILES: OCCC(C)(C2)C(O1)C(CCCC(C)=C([H])CCC(C)=C([H])C2)1
CH$IUPAC: InChI=1S/C19H32O2/c1-15-7-4-8-16(2)10-6-12-19(3,13-14-20)18-17(21-18)11-5-9-15/h7,10,17-18,20H,4-6,8-9,11-14H2,1-3H3/b15-7+,16-10+
CH$LINK: INCHIKEY AGXRTUPIZLCCNG-FJFWOBFQSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-016s-9710000000-88bceec3c05fa5c48d02
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
  15 2.5 25
  17 12.2 122
  18 99.99 999
  27 0.59 6
  28 9.3 93
  29 26.2 262
  31 14.9 149
  32 0.2 2
  40 1.5 15
  41 5.3 53
  42 5.5 55
  43 2.53 25
  44 18.6 186
  45 16.6 166
  46 2.9 29
  51 0.27 3
  53 2.9 29
  54 1.1 11
  55 12.4 124
  56 0.38 4
  57 7.7 77
  58 4 40
  59 8.1 81
  60 0.32 3
  61 7.5 75
  63 1.8 18
  66 2 20
  67 0.7 7
  68 13.6 136
  69 17.4 174
  70 3.8 38
  71 0.82 8
  73 8.1 81
  74 1.3 13
  77 4.9 49
  78 0.92 9
  79 24.1 241
  80 7.1 71
  81 26.5 265
  82 1.74 17
  83 13.9 139
  84 3.3 33
  85 6.1 61
  86 0.13 1
  88 1.5 15
  91 10.1 101
  92 5.6 56
  93 1.19 12
  94 26.2 262
  95 37.5 375
  96 5.1 51
  97 1.52 15
  98 9.5 95
  99 3.2 32
  100 3.3 33
  101 0.13 1
  105 9.4 94
  106 3.6 36
  107 47.5 475
  108 1.98 20
  109 14.5 145
  110 8.9 89
  111 21.5 215
  112 0.33 3
  113 3.3 33
  114 1.7 17
  117 1.5 15
  118 0.2 2
  119 5.7 57
  120 6.3 63
  121 33.4 334
  122 1.73 17
  123 13.3 133
  124 15.9 159
  125 11.1 111
  126 0.23 2
  127 2.1 21
  128 1.6 16
  129 1.8 18
  131 0.28 3
  132 3.4 34
  133 12.8 128
  134 3.3 33
  135 1.5 15
  136 10.3 103
  137 8.6 86
  138 2.9 29
  139 0.83 8
  140 2.7 27
  141 1.4 14
  143 2.3 23
  144 0.13 1
  145 3 30
  146 2.6 26
  147 20.9 209
  148 0.68 7
  149 9.4 94
  150 3.9 39
  151 14.3 143
  152 0.63 6
  155 2.4 24
  159 6.9 69
  160 2.2 22
  161 0.51 5
  162 2.6 26
  163 9.4 94
  164 4.7 47
  165 0.33 3
  166 2.5 25
  167 6.5 65
  168 2 20
  169 0.12 1
  171 2.2 22
  172 1.2 12
  173 2.8 28
  174 0.13 1
  175 7.5 75
  176 2.1 21
  177 3.2 32
  178 0.18 2
  179 4 40
  180 3.9 39
  181 2.1 21
  185 0.12 1
  187 2 20
  188 3 30
  189 4.1 41
  190 0.15 2
  191 3.4 34
  192 3.7 37
  193 7 70
  194 0.12 1
  197 1.2 12
  201 2.6 26
  203 2.1 21
  204 0.13 1
  205 2.4 24
  206 1.9 19
  207 2.1 21
  209 0.22 2
  210 1.3 13
  215 1.7 17
  218 1.3 13
  219 0.21 2
  220 1.1 11
  221 1.6 16
  228 1 10
  229 1.01 10
  230 4.6 46
  231 3.3 33
  243 2 20
  245 0.13 1
  247 1.9 19
  248 1.7 17
  259 3.3 33
  263 0.12 1
  272 2 20
  273 1.5 15
  274 5.9 59
  275 0.15 2
  277 2 20
  290 1.8 18
  292 19.7 197
  293 3.9 39
//