ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000156
RECORD_TITLE: SANGGENON-C; 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$NAME: SANGGENON-C
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₀H₃₆O₁₂
CH$EXACT_MASS: 708.22068
CH$SMILES: c(c7)c(C12O)c(cc7O)OC(C(=O)c(c(O)3)c(cc(O)c3C(C4C(=O)c(c6)c(O)cc(c6)O)C=C(C)CC4c(c5O)ccc(O)c5)O2)1CC=C(C)C
CH$IUPAC: InChI=1S/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
CH$LINK: INCHIKEY SUOXGDJCEWTZIZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13824422

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$SPLASH: splash10-03e9-4943100000-f12ea79c868cf8f3abbe
PK$NUM_PEAK: 154
PK$PEAK: m/z int. rel.int.
  65 23.94 239
  66 18.91 189
  75 7.01 70
  77 8.22 82
  79 1.41 14
  80 5.12 51
  81 65.41 654
  82 95.18 952
  89 7.12 71
  90 1.48 15
  92 6.51 65
  94 11.14 111
  101 2.05 21
  103 4.04 40
  105 1.59 16
  106 1.48 15
  107 3.71 37
  110 99.99 999
  111 10.38 104
  115 10.82 108
  117 2.78 28
  122 10.93 109
  123 71.72 717
  124 1.72 17
  126 16.68 167
  127 2.26 23
  128 5.36 54
  129 2.7 27
  134 12.9 129
  135 10.27 103
  136 3.55 36
  137 13.96 140
  141 1.67 17
  143 3.3 33
  144 2.01 20
  146 1.69 17
  147 23.34 233
  148 3.93 39
  150 30.11 301
  151 3.5 35
  152 4.75 48
  153 7.19 72
  155 2.05 21
  156 1.44 14
  160 4.55 46
  161 42.98 430
  162 14.06 141
  163 27.41 274
  164 5.52 55
  173 2.56 26
  174 1.94 19
  175 7.9 79
  176 13.18 132
  177 11.5 115
  178 17.53 175
  179 1.04 10
  184 2.4 24
  187 1.39 14
  190 2.22 22
  191 2.5 25
  194 2.29 23
  197 10.69 107
  198 1.47 15
  199 1.4 14
  200 1.45 15
  201 3.71 37
  203 18.8 188
  204 1.8 18
  210 2.5 25
  211 49.74 497
  212 37.6 376
  213 15.71 157
  214 2.03 20
  217 4.77 48
  218 10.56 106
  219 1.61 16
  225 3.42 34
  226 1.49 15
  227 3.26 33
  229 6.35 64
  230 1.64 16
  237 2.87 29
  239 5 50
  241 3.01 30
  244 1.75 18
  245 5.03 50
  251 1.28 13
  253 1.87 19
  255 38.71 387
  256 30.79 308
  257 4.06 41
  258 2.66 27
  265 1.12 11
  269 2.77 28
  274 1.02 10
  279 1.12 11
  280 3.19 32
  285 9.83 98
  286 1.78 18
  287 1.53 15
  302 6.61 66
  303 3.49 35
  305 12.38 124
  306 1.9 19
  311 1 10
  314 2.9 29
  315 8.42 84
  317 3.34 33
  319 8.25 83
  320 8.84 88
  321 2.29 23
  322 1.29 13
  323 2.41 24
  324 2.56 26
  325 1.41 14
  326 2.15 22
  327 8.48 85
  329 1.33 13
  333 3.15 32
  335 1.94 19
  338 1.14 11
  339 2.98 30
  353 52.56 526
  354 11.18 112
  355 3.74 37
  365 4.67 47
  366 1.39 14
  368 19.28 193
  369 4.71 47
  370 9.24 92
  371 1.33 13
  381 1.64 16
  383 1.9 19
  388 1.61 16
  389 1.12 11
  395 1.11 11
  401 1.53 15
  404 1.9 19
  405 2.11 21
  419 1.78 18
  421 25.53 255
  422 8.02 80
  423 2.34 23
  436 11.52 115
  437 3.34 33
  438 2.6 26
  439 1.08 11
  464 1.77 18
  516 0.88 9
  578 0.58 6
  579 0.52 5
  580 0.98 10
  581 0.95 10
  691 0.32 3
//