ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006320
RECORD_TITLE: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE 2,3-O-ISOPROPYLIDENE DERIVATIVE; 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$NAME: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE 2,3-O-ISOPROPYLIDENE DERIVATIVE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₄₈O₅
CH$EXACT_MASS: 476.35017
CH$SMILES: C(C=4C)(C(C3)(C)C([H])(CC([H])4)C(CC3)(C)C)([H])CCC(C=C)(OC([H])(O2)C(O1)(C(C([H])(O)C2([H])C)(OC(C)(C)1)[H])[H])C
CH$IUPAC: InChI=1S/C29H48O5/c1-10-28(8,34-25-24-23(22(30)19(3)31-25)32-27(6,7)33-24)17-14-20-18(2)12-13-21-26(4,5)15-11-16-29(20,21)9/h10,12,19-25,30H,1,11,13-17H2,2-9H3/t19-,20-,21-,22-,23+,24+,25-,28-,29+/m0/s1
CH$LINK: INCHIKEY CYVZURJWSZNEAQ-QEUCPSMUSA-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$SPLASH: splash10-0pb9-9720000000-fd352cfd0c5a76fe8d5a
PK$NUM_PEAK: 182
PK$PEAK: m/z int. rel.int.
  40 4 40
  41 54.3 543
  42 6.8 68
  43 8.83 88
  44 4.5 45
  45 9.5 95
  46 1.5 15
  47 0.1 1
  51 3.1 31
  52 1.5 15
  53 11.6 116
  54 0.47 5
  55 51.5 515
  56 8.5 85
  57 27.7 277
  58 0.9 9
  59 61.1 611
  60 5.5 55
  61 3.5 35
  62 0.15 2
  63 1.2 12
  64 1.8 18
  65 4.5 45
  66 0.25 3
  67 15.6 156
  68 10.5 105
  69 41.6 416
  70 0.7 7
  71 23.5 235
  72 3.8 38
  73 9.4 94
  74 0.26 3
  75 1.5 15
  76 1 10
  77 11.7 117
  78 0.37 4
  79 18.5 185
  80 20.5 205
  81 58.5 585
  82 1.11 11
  83 22.8 228
  84 10.9 109
  85 22.8 228
  86 0.24 2
  87 2.4 24
  88 1.2 12
  89 1.7 17
  90 0.15 2
  91 15.6 156
  92 6.4 64
  93 28.9 289
  94 0.94 9
  95 17.3 173
  96 6.1 61
  97 13.2 132
  98 0.34 3
  99 11.9 119
  100 19.5 195
  101 10 100
  102 0.21 2
  103 3.1 31
  104 7 70
  105 16.3 163
  106 0.7 7
  107 22.7 227
  108 16.5 165
  109 49 490
  110 0.7 7
  111 7 70
  112 2.8 28
  113 24.1 241
  114 0.7 7
  115 7 70
  116 2 20
  117 4.5 45
  118 0.25 3
  119 19.5 195
  120 9.5 95
  121 20.8 208
  122 1.18 12
  123 12.6 126
  124 9.6 96
  125 4.4 44
  126 0.18 2
  127 4.8 48
  128 4.8 48
  129 23.7 237
  130 0.34 3
  131 4.4 44
  132 1.6 16
  133 14 140
  134 0.84 8
  135 18.5 185
  136 6.9 69
  137 8.2 82
  138 0.22 2
  139 2.1 21
  140 1.1 11
  141 2.1 21
  142 0.46 5
  143 2.5 25
  144 1.8 18
  145 20.8 208
  146 0.42 4
  147 8.3 83
  148 10.5 105
  149 10.9 109
  150 0.27 3
  151 3.6 36
  152 2 20
  153 1.8 18
  154 0.15 2
  155 2.2 22
  156 1.2 12
  157 7 70
  158 0.22 2
  159 4.2 42
  160 2.1 21
  161 16.4 164
  162 0.45 5
  163 8.5 85
  164 2.1 21
  165 2.1 21
  166 0.17 2
  167 3.8 38
  168 1.4 14
  169 1.9 19
  170 0.19 2
  171 4.6 46
  172 1.9 19
  173 3.2 32
  174 0.15 2
  175 5.1 51
  176 3.4 34
  177 6.9 69
  178 0.22 2
  179 1.5 15
  186 4.5 45
  187 16 160
  188 0.41 4
  189 13.5 135
  190 4.5 45
  191 15.7 157
  192 0.45 5
  193 1.8 18
  201 7.1 71
  202 2.2 22
  203 1.07 11
  204 99.99 999
  205 23 230
  215 14 140
  216 0.25 3
  217 2.1 21
  218 3.2 32
  219 1.8 18
  220 0.24 2
  229 5 50
  249 1.8 18
  257 4 40
  258 0.18 2
  259 1 10
  271 9.5 95
  272 5.5 55
  273 0.4 4
  286 0.7 7
  288 0.6 6
  289 1.6 16
  290 0.14 1
  291 0.5 5
  315 0.3 3
  318 0.4 4
  319 0.04 0
  332 0.4 4
  344 0.5 5
  377 0.3 3
  390 0.05 1
  400 0.3 3
  418 1.4 14
  443 0.2 2
  461 0.2 2
  462 0.7 7
  476 0.1 1
//