ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008161
RECORD_TITLE: CLIONASTERYL-ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: CLIONASTERYL-ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₁H₅₂O₂
CH$EXACT_MASS: 456.39673
CH$SMILES: C(C41C)(CCC1(C(C(CC4)3[H])([H])CC=C(C3(C)2)CC([H])(CC2)OC(C)=O)[H])(C(CCC([H])(C(C)C)CC)([H])C)[H]
CH$IUPAC: InChI=1S/C31H52O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h11,20-21,23,25-29H,8-10,12-19H2,1-7H3/t21-,23+,25+,26+,27-,28+,29+,30+,31-/m1/s1
CH$LINK: INCHIKEY PBWOIPCULUXTNY-UMKHIFOFSA-N

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0005-9814000000-76622d264e21b3a06a14
PK$NUM_PEAK: 130
PK$PEAK: m/z int. rel.int.
  15 1.32 13
  27 2.19 22
  29 6.05 61
  39 1.48 15
  41 21.16 212
  42 7.4 74
  43 75.82 758
  44 1.84 18
  53 2.52 25
  55 26.41 264
  56 2.67 27
  57 27.28 273
  61 0.92 9
  65 1.18 12
  67 13.44 134
  68 1.74 17
  69 16.59 166
  70 1.21 12
  71 10.8 108
  77 4.18 42
  78 1.45 15
  79 12.12 121
  80 2.14 21
  81 27.19 272
  82 2.41 24
  83 5.41 54
  84 0.85 9
  85 10.38 104
  91 15.32 153
  92 3.95 40
  93 16.19 162
  94 4.04 40
  95 16.62 166
  96 1.45 15
  97 4.27 43
  99 1.07 11
  103 0.92 9
  104 1.33 13
  105 18.76 188
  106 6.57 66
  107 17.88 179
  108 6.24 62
  109 9.13 91
  110 1.03 10
  111 3.43 34
  115 1.61 16
  116 1.07 11
  117 6.58 66
  118 3.51 35
  119 11.69 117
  120 12.46 125
  121 11.83 118
  122 2.95 30
  123 4.73 47
  125 1.28 13
  128 1.85 19
  129 3.99 40
  130 2.32 23
  131 9.9 99
  132 2.95 30
  133 13.47 135
  134 3.84 38
  135 7.83 78
  136 1.78 18
  137 1.88 19
  141 1.37 14
  142 1.49 15
  143 9.32 93
  144 3.88 39
  145 22.07 221
  146 8.18 82
  147 27.64 276
  148 6.34 63
  149 5.52 55
  150 0.82 8
  151 0.9 9
  155 0.98 10
  157 4.93 49
  158 5.16 52
  159 10.97 110
  160 6.75 68
  161 7.26 73
  162 2.09 21
  163 4.26 43
  169 0.92 9
  171 2.74 27
  172 1.28 13
  173 3.9 39
  174 1.52 15
  175 2.51 25
  176 0.88 9
  177 2.66 27
  183 0.89 9
  185 2.69 27
  186 1.12 11
  187 1.82 18
  189 1.05 11
  191 1.56 16
  197 1.35 14
  199 3.23 32
  200 1.59 16
  201 2.06 21
  212 1.05 11
  213 9.01 90
  214 2.91 29
  215 1.73 17
  227 1.32 13
  228 2.49 25
  229 1.56 16
  233 1.3 13
  234 1.63 16
  241 1.03 10
  254 1.64 16
  255 10.33 103
  256 2.2 22
  273 1.49 15
  274 1.33 13
  275 7.32 73
  276 2.1 21
  283 1.61 16
  287 1.19 12
  288 7.37 74
  289 2.42 24
  354 1.76 18
  381 12.01 120
  382 3.97 40
  395 1.18 12
  396 99.99 999
  397 32.29 323
  398 5.48 55
//