ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010651
RECORD_TITLE: 7ALPHA-ACETOXYSARCOPHYTOLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 7ALPHA-ACETOXYSARCOPHYTOLIDE
CH$NAME: (1Z,5S,6R,9E,11E)-5,9-DIMETHYL-6-ACETOXY-12-ISOPROPYLCYCLOTETRADECA-1,9,11-TRIENE-1,5-CARBOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₂O₄
CH$EXACT_MASS: 360.23006
CH$SMILES: CC(=O)OC([H])(C2)C(C)(C1)OC(=O)C(CCC(C(C)C)=C([H])C([H])=C(C)C2)=C([H])C1
CH$IUPAC: InChI=1S/C22H32O4/c1-15(2)18-10-8-16(3)9-13-20(25-17(4)23)22(5)14-6-7-19(12-11-18)21(24)26-22/h7-8,10,15,20H,6,9,11-14H2,1-5H3/b16-8+,18-10+/t20-,22?/m1/s1
CH$LINK: INCHIKEY PSJHYYPVPGHZAJ-FPJKZIJLSA-N

AC$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0006-7910000000-8f678fc5f26455ecb4c1
PK$NUM_PEAK: 174
PK$PEAK: m/z int. rel.int.
  41 35.3 353
  42 2.5 25
  43 99.99 999
  44 0.29 3
  45 2 20
  51 1.6 16
  52 1.2 12
  53 1.43 14
  54 1.8 18
  55 24.8 248
  56 2 20
  57 0.78 8
  58 1.9 19
  59 1.1 11
  60 1.4 14
  61 0.1 1
  65 6.1 61
  66 2.8 28
  67 15.1 151
  68 0.39 4
  69 20.6 206
  70 2.3 23
  71 5.3 53
  72 0.12 1
  73 1.3 13
  77 14.7 147
  78 3.4 34
  79 1.98 20
  80 5.3 53
  81 20.9 209
  82 3.3 33
  83 0.59 6
  84 1.6 16
  85 2.5 25
  91 23.6 236
  92 0.63 6
  93 39.2 392
  94 7.3 73
  95 19.6 196
  96 0.29 3
  97 4.1 41
  98 1.7 17
  99 1.9 19
  103 0.22 2
  104 1.5 15
  105 21 210
  106 6 60
  107 2.98 30
  108 7.1 71
  109 10.1 101
  110 2.9 29
  111 0.37 4
  112 1.1 11
  113 1.3 13
  115 2.9 29
  116 0.16 2
  117 6.4 64
  118 2.9 29
  119 19.7 197
  120 0.7 7
  121 27.6 276
  122 6.8 68
  123 8.2 82
  124 0.24 2
  125 2.4 24
  127 1.3 13
  128 2.3 23
  129 0.37 4
  130 1.9 19
  131 9.9 99
  132 2.9 29
  133 1.78 18
  134 10.1 101
  135 20.6 206
  136 10.2 102
  137 0.58 6
  138 2 20
  139 2 20
  141 2 20
  142 0.14 1
  143 5 50
  144 2 20
  145 10.4 104
  146 0.65 7
  147 19.2 192
  148 12.5 125
  149 15.7 157
  150 0.41 4
  151 5.2 52
  152 51.2 512
  153 8.7 87
  154 0.23 2
  155 2.3 23
  156 1.3 13
  157 2.9 29
  158 0.18 2
  159 11 110
  160 3.7 37
  161 6.6 66
  162 0.29 3
  163 4 40
  164 8.1 81
  165 4.2 42
  166 0.29 3
  167 1.6 16
  169 2.1 21
  171 4.2 42
  172 0.17 2
  173 6.2 62
  174 2.6 26
  175 4.7 47
  176 0.2 2
  177 3.5 35
  178 2.5 25
  179 1.6 16
  183 0.21 2
  185 3.9 39
  186 1.8 18
  187 7.3 73
  188 0.25 3
  189 5.2 52
  190 2.4 24
  191 2.9 29
  192 0.23 2
  193 1.5 15
  197 1.8 18
  199 3.5 35
  200 0.13 1
  201 3.7 37
  202 2.2 22
  203 3.1 31
  204 0.17 2
  205 2.1 21
  206 1.3 13
  207 1.1 11
  211 0.32 3
  212 1.1 11
  213 2.9 29
  214 1.5 15
  215 0.26 3
  216 1.9 19
  217 4.1 41
  218 2.1 21
  219 0.16 2
  225 1.1 11
  227 1.4 14
  229 2.5 25
  230 0.13 1
  231 4.7 47
  232 2.5 25
  239 2.9 29
  240 0.1 1
  241 1.1 11
  242 2 20
  243 1.8 18
  244 0.13 1
  245 1.3 13
  255 10.4 104
  256 3.1 31
  257 0.78 8
  258 2.1 21
  271 1.4 14
  272 3.5 35
  273 0.17 2
  274 1.1 11
  275 2.3 23
  285 3.5 35
  286 0.1 1
  300 4.2 42
  301 1.7 17
  317 1.4 14
  318 0.12 1
  360 13.4 134
  367 3.6 36
//