ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010841
RECORD_TITLE: 7ALPHA-HYDROXYSARCOPHYTOLIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 7ALPHA-HYDROXYSARCOPHYTOLIDE
CH$NAME: (1Z,5S,6R,9E,11E)-5,9-DIMETHYL-6-HYDROXY-12-ISOPROPYLCYCLOTETRADECA-1,9,11-TRIENE-1,5-CARBOLACTONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₀O₃
CH$EXACT_MASS: 318.21949
CH$SMILES: CC(C)C(C2)=C([H])C([H])=C(C)CCC([H])(O)C(C)(C1)OC(=O)C(C2)=C([H])C1
CH$IUPAC: InChI=1S/C20H30O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14,18,21H,5,8,10-13H2,1-4H3/b15-7+,16-9+/t18-,20+/m1/s1
CH$LINK: INCHIKEY UPVZGDDJVFXWOG-MKSSYNOGSA-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$SPLASH: splash10-0006-9610000000-64cd9c37ae1130731449
PK$NUM_PEAK: 202
PK$PEAK: m/z int. rel.int.
  41 56 560
  42 6.9 69
  43 99.99 999
  44 0.61 6
  45 11.2 112
  46 1 10
  47 7.6 76
  48 0.28 3
  49 2.8 28
  50 1.9 19
  51 3.3 33
  52 0.22 2
  53 24.2 242
  54 3.3 33
  55 39.4 394
  56 0.52 5
  57 24 240
  58 5.3 53
  59 4.1 41
  60 0.22 2
  63 1.8 18
  65 7.8 78
  66 4.7 47
  67 2.57 26
  68 5.7 57
  69 22.1 221
  70 4.7 47
  71 1.51 15
  72 3 30
  73 3 30
  74 1.4 14
  75 0.18 2
  77 20.9 209
  78 5.5 55
  79 23.7 237
  80 0.71 7
  81 27.4 274
  82 7 70
  83 23.1 231
  84 0.38 4
  85 19.1 191
  86 1.6 16
  87 4.2 42
  89 0.11 1
  91 22.3 223
  92 6.2 62
  93 44.7 447
  94 0.94 9
  95 20.6 206
  96 5.5 55
  97 11.6 116
  98 0.41 4
  99 5.6 56
  100 1.2 12
  101 1.9 19
  103 0.32 3
  104 1.9 19
  105 17 170
  106 5.8 58
  107 2.4 24
  108 8.6 86
  109 16.7 167
  110 5.9 59
  111 1.06 11
  112 2.8 28
  113 3 30
  115 4.1 41
  116 0.17 2
  117 6.7 67
  118 1.8 18
  119 16.6 166
  120 0.47 5
  121 38.3 383
  122 8.5 85
  123 14.2 142
  124 0.38 4
  125 6.3 63
  126 3.2 32
  127 3.5 35
  128 0.32 3
  129 3.5 35
  130 2.1 21
  131 6.7 67
  132 0.28 3
  133 14.6 146
  134 6.8 68
  135 27.4 274
  136 1.76 18
  137 10.4 104
  138 4.6 46
  139 5.5 55
  140 0.17 2
  141 4.6 46
  142 1.9 19
  143 3.3 33
  144 0.19 2
  145 8.8 88
  146 2.5 25
  147 12.1 121
  148 0.71 7
  149 21.9 219
  150 5.3 53
  151 11.1 111
  152 1.61 16
  153 4.9 49
  154 1.7 17
  155 2.5 25
  156 0.12 1
  157 4.1 41
  158 1.5 15
  159 5.1 51
  160 0.29 3
  161 7.7 77
  162 3.8 38
  163 5.3 53
  164 0.34 3
  165 7.1 71
  166 3.4 34
  167 3.6 36
  168 0.13 1
  169 2.2 22
  171 3.6 36
  172 1.5 15
  173 0.62 6
  174 2.9 29
  175 5.5 55
  176 2.2 22
  177 0.42 4
  178 2.7 27
  179 2.8 28
  180 1.7 17
  181 0.18 2
  182 1.6 16
  183 2.1 21
  185 3.1 31
  186 0.13 1
  187 3.7 37
  188 2.2 22
  189 5.4 54
  190 0.27 3
  191 3.6 36
  192 2.3 23
  193 2 20
  194 0.1 1
  195 1.6 16
  197 1.8 18
  199 2.5 25
  200 0.11 1
  201 3.4 34
  202 1.7 17
  203 3.2 32
  204 0.16 2
  205 2.9 29
  206 1.4 14
  207 1.6 16
  211 0.16 2
  213 2.2 22
  214 1.3 13
  215 2.1 21
  216 0.14 1
  217 4.1 41
  218 1.7 17
  219 2.4 24
  220 0.14 1
  221 1.7 17
  227 1.3 13
  229 3.1 31
  230 0.14 1
  231 4.5 45
  232 2.3 23
  233 1.3 13
  239 0.16 2
  241 1.2 12
  243 1.5 15
  245 1.7 17
  247 0.12 1
  253 0.8 8
  254 0.9 9
  255 3.6 36
  256 0.18 2
  257 4.2 42
  258 1.2 12
  259 0.9 9
  265 0.14 1
  269 0.9 9
  270 0.8 8
  271 1.2 12
  272 0.34 3
  273 3.3 33
  274 1.2 12
  275 3 30
  276 0.09 1
  285 1.9 19
  289 1.6 16
  291 1.2 12
  293 0.11 1
  300 2.2 22
  301 0.8 8
  303 1 10
  318 1.06 11
  319 3 30
  320 0.8 8
//