ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006317
RECORD_TITLE: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE; 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$NAME: LABDA-7,14-DIEN-13(R)-OL-ALPHA-L-RHAMNOPYRANOSIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₄₄O₅
CH$EXACT_MASS: 436.31887
CH$SMILES: CC(C)(C3)C([H])(C(C)1CC3)CC(=C(C([H])(CCC(OC([H])(C([H])(O)2)OC([H])(C)C([H])(O)C([H])(O)2)(C)C=C)1)C)[H]
CH$IUPAC: InChI=1S/C26H44O5/c1-8-25(6,31-23-22(29)21(28)20(27)17(3)30-23)15-12-18-16(2)10-11-19-24(4,5)13-9-14-26(18,19)7/h8,10,17-23,27-29H,1,9,11-15H2,2-7H3/t17?,18-,19-,20-,21-,22?,23-,25-,26+/m0/s1
CH$LINK: INCHIKEY SHBMAOBNYQEHHP-AAVQNJBJSA-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$SPLASH: splash10-0pi3-9620000000-cff5515121eb65f2e8ed
PK$NUM_PEAK: 197
PK$PEAK: m/z int. rel.int.
  40 5 50
  41 74.5 745
  42 11.4 114
  43 5.41 54
  44 22.6 226
  45 43 430
  46 11.6 116
  47 0.35 4
  50 1.2 12
  51 3.8 38
  52 2.5 25
  53 1.73 17
  54 6 60
  55 69 690
  56 12.1 121
  57 3.66 37
  58 14 140
  59 14.8 148
  60 44.5 445
  61 1.48 15
  62 1.5 15
  63 2.4 24
  65 6.4 64
  66 0.4 4
  67 27.1 271
  68 16.2 162
  69 58 580
  70 1.07 11
  71 47.4 474
  72 7.9 79
  73 44.5 445
  74 1.08 11
  75 8.5 85
  76 2.1 21
  77 13.4 134
  78 0.36 4
  79 21.9 219
  80 21.7 217
  81 59.2 592
  82 1.57 16
  83 29.3 293
  84 13.4 134
  85 16.4 164
  86 0.38 4
  87 11.5 115
  88 1.4 14
  89 1.3 13
  90 0.17 2
  91 21.4 214
  92 7.1 71
  93 34.2 342
  94 1.25 13
  95 40.7 407
  96 10.2 102
  97 15.4 154
  98 0.7 7
  99 9.2 92
  100 6.6 66
  101 7.9 79
  102 0.54 5
  103 7 70
  104 2.5 25
  105 21.3 213
  106 0.84 8
  107 25.2 252
  108 17.3 173
  109 59.4 594
  110 0.9 9
  111 14.2 142
  112 3.8 38
  113 5.4 54
  114 0.22 2
  115 8.4 84
  116 3.4 34
  117 12.4 124
  118 0.32 3
  119 27.4 274
  120 10 100
  121 26 260
  122 1.36 14
  123 17.2 172
  124 13.6 136
  125 9.1 91
  126 0.36 4
  127 4.1 41
  128 3.4 34
  129 18 180
  130 0.35 4
  131 6.4 64
  132 4.4 44
  133 18.3 183
  134 0.84 8
  135 12.4 124
  136 8.7 87
  137 11.4 114
  138 0.55 6
  139 4.5 45
  140 2.6 26
  141 4.4 44
  142 0.33 3
  143 4.2 42
  144 4.6 46
  145 9.3 93
  146 0.46 5
  147 18.5 185
  148 11.4 114
  149 12 120
  150 0.45 5
  151 6.7 67
  152 3.4 34
  153 4.4 44
  154 0.24 2
  155 2.6 26
  156 1.8 18
  157 5.8 58
  158 0.25 3
  159 5.2 52
  160 3.4 34
  161 15 150
  162 0.51 5
  163 10.9 109
  164 10.1 101
  165 5.3 53
  166 0.35 4
  167 3.5 35
  168 1.5 15
  169 1.5 15
  170 0.18 2
  171 3.4 34
  172 1.5 15
  173 5.5 55
  174 0.21 2
  175 7.4 74
  176 3.9 39
  177 10.3 103
  178 0.34 3
  179 3 30
  180 2.5 25
  181 2.5 25
  182 0.15 2
  183 1.5 15
  184 1.5 15
  185 3.9 39
  186 0.2 2
  187 7.5 75
  188 3.8 38
  189 20 200
  190 0.64 6
  191 20.5 205
  192 4.5 45
  193 3.5 35
  194 0.2 2
  195 1 10
  196 1 10
  199 2.1 21
  200 0.12 1
  201 8.6 86
  202 3.8 38
  203 7.4 74
  204 99.99 999
  205 24 240
  206 5.1 51
  207 3.9 39
  208 0.2 2
  217 3.2 32
  218 3.4 34
  219 3.4 34
  220 0.62 6
  221 3 30
  231 2 20
  233 3 30
  234 0.23 2
  256 5 50
  257 6 60
  270 2.9 29
  271 1.45 15
  272 8.4 84
  273 7 70
  284 0.4 4
  285 0.1 1
  286 1.3 13
  287 1.6 16
  288 1.7 17
  289 0.21 2
  290 0.9 9
  291 0.4 4
  303 0.3 3
  304 0.1 1
  305 0.7 7
  331 0.8 8
  337 0.6 6
  350 0.05 1
  366 0.2 2
  391 0.2 2
  403 0.3 3
  418 0.03 0
  436 0.7 7
//