ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000168
RECORD_TITLE: KUWANON-G; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: KUWANON-G
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₀H₃₆O₁₁
CH$EXACT_MASS: 692.22576
CH$SMILES: c(c6)(cc(c(c6)C(C(C1(c(c5)c(O)cc(O)c5)[H])([H])C(c(c32)c(cc(c2C(C(=C(c(c4)c(O)cc(O)c4)O3)CC=C(C)C)=O)O)O)C=C(C)C1)=O)O)O
CH$IUPAC: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
CH$LINK: INCHIKEY APPXYONGBIXGRO-QPFJYYDMSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-0ik9-7932000000-d1fcc8d92623ba859276
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  50 11.65 117
  51 21.45 215
  52 8.56 86
  53 22.11 221
  54 19.07 191
  55 4.24 42
  56 11.84 118
  58 9.19 92
  59 5.84 58
  60 9.05 91
  61 3.76 38
  62 6.07 61
  63 18.45 185
  64 15.41 154
  65 12.94 129
  66 5.2 52
  68 5.66 57
  69 2.2 22
  70 1.72 17
  72 2.62 26
  73 15.07 151
  74 5.39 54
  75 2.56 26
  76 4.63 46
  77 15.84 158
  78 10.6 106
  79 6.77 68
  80 5.76 58
  81 6.41 64
  82 13.91 139
  87 4.6 46
  89 4.98 50
  90 3.59 36
  91 10.85 109
  92 3.65 37
  94 3.92 39
  98 4.13 41
  100 4.74 47
  101 4.16 42
  102 3.95 40
  103 4.6 46
  104 5.95 60
  105 3.65 37
  106 2.23 22
  107 5.61 56
  108 2.67 27
  110 99.99 999
  114 3.15 32
  115 15.81 158
  116 3.67 37
  120 3.57 36
  121 1.78 18
  122 6.18 62
  123 1.12 11
  128 10.85 109
  129 7.06 71
  130 1.4 14
  131 1.29 13
  132 2.58 26
  134 17.33 173
  135 1.5 15
  136 2.92 29
  137 8.92 89
  138 1.28 13
  139 3.89 39
  141 7.47 75
  143 2.67 27
  144 1.48 15
  146 1.85 19
  147 7.06 71
  148 2.45 25
  149 37.58 376
  150 4.25 43
  152 6.53 65
  153 6.77 68
  156 1.66 17
  157 5.16 52
  158 2.91 29
  160 1.88 19
  161 9.65 97
  162 14.32 143
  163 2.67 27
  164 1.45 15
  165 2.59 26
  171 3.11 31
  174 1.99 20
  176 3.02 30
  177 1.82 18
  179 1.09 11
  181 3.83 38
  184 5.5 55
  185 6.55 66
  186 4.32 43
  187 3 30
  189 2.5 25
  191 1.74 17
  195 1.2 12
  197 5.65 57
  198 3.1 31
  199 2.67 27
  200 4.21 42
  201 2.77 28
  202 3.41 34
  203 7.06 71
  205 2.73 27
  211 8.65 87
  212 4.6 46
  213 12.55 126
  214 2.27 23
  215 1.45 15
  218 1.28 13
  219 1.01 10
  226 17.68 177
  227 7.42 74
  228 8.56 86
  229 3.98 40
  231 1.02 10
  233 1.06 11
  242 1.28 13
  243 1.06 11
  253 1.5 15
  255 5.08 51
  256 3.32 33
  257 1.97 20
  262 2.24 22
  265 1.53 15
  278 13.93 139
  279 5 50
  281 3.98 40
  283 1.15 12
  285 1.77 18
  295 1.61 16
  297 8.01 80
  298 3.34 33
  299 7.74 77
  300 1.7 17
  311 34.76 348
  312 6.85 69
  316 1.37 14
  319 1.15 12
  321 3.49 35
  335 1.66 17
  337 4.85 49
  338 1.72 17
  339 1.58 16
  353 1.4 14
  354 17.66 177
  355 4.25 43
  363 1.63 16
  377 4.06 41
  379 2.02 20
  405 14.43 144
  406 4.85 49
  407 1.31 13
  420 6.75 68
  421 1.21 12
  422 1.21 12
  539 2.23 22
  582 4.38 44
  583 1.06 11
//