ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000157
RECORD_TITLE: SANGGENON-C; FD-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

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: FD-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-0142239700-378848602e9e923a3a08
PK$NUM_PEAK: 146
PK$PEAK: m/z int. rel.int.
  110 17.11 171
  136 4.91 49
  149 2.16 22
  160 12.96 130
  177 5.47 55
  178 3.54 35
  184 19.69 197
  200 12.38 124
  203 10.14 101
  212 1.98 20
  218 3.24 32
  228 13.04 130
  229 4.97 50
  230 12.98 130
  241 8.33 83
  246 5.61 56
  254 16.47 165
  255 59.66 597
  256 55.86 559
  257 9.47 95
  258 14.94 149
  272 7.71 77
  275 2.81 28
  281 10.18 102
  289 7.77 78
  292 7.31 73
  302 17.59 176
  310 9.95 100
  311 11.84 118
  313 11.22 112
  318 6.46 65
  319 15.23 152
  320 1.33 13
  322 7.83 78
  324 11.9 119
  342 2.14 21
  368 22.78 228
  369 3.66 37
  371 3.91 39
  385 5.57 56
  388 20.31 203
  392 1.46 15
  393 3.47 35
  404 19.63 196
  422 3.35 34
  430 5.55 56
  432 5.3 53
  436 44.15 442
  437 7.31 73
  438 17.74 177
  447 3.18 32
  448 12.11 121
  464 10.06 101
  492 3.62 36
  496 3.1 31
  505 8.33 83
  508 1.75 18
  509 20.06 201
  510 15.77 158
  511 12.13 121
  512 25.03 250
  513 4.93 49
  515 10.25 103
  516 11.53 115
  517 5.74 57
  520 5.03 50
  530 14.66 147
  531 13.21 132
  532 3.66 37
  567 2.56 26
  578 26.02 260
  579 13.11 131
  580 7.9 79
  581 4.37 44
  599 3.87 39
  603 5.13 51
  609 2.1 21
  612 1.38 14
  618 6.88 69
  619 7.36 74
  620 3 30
  621 11.97 120
  622 23.41 234
  623 29.91 299
  624 6.05 61
  625 6.15 62
  638 18.63 186
  639 1.38 14
  640 49.8 498
  641 62.51 625
  642 46.62 466
  643 15 150
  644 8.21 82
  646 3.85 39
  648 4.68 47
  654 5.09 51
  660 1.89 19
  663 4.99 50
  664 8.06 81
  665 5.96 60
  667 2.56 26
  671 6.63 66
  675 4.72 47
  676 8.87 89
  677 4.86 49
  683 3.2 32
  687 16.84 168
  688 15.85 159
  689 39.93 399
  690 65.76 658
  691 43.44 434
  692 5.28 53
  693 7.15 72
  705 8.02 80
  706 5.24 52
  707 19.48 195
  708 54.57 546
  709 99.99 999
  710 36.32 363
  711 27.35 274
  712 3.68 37
  713 1.79 18
  714 2.7 27
  719 4.34 43
  720 10.72 107
  724 2.5 25
  725 3.27 33
  731 19.5 195
  732 6.46 65
  734 5.05 51
  738 3.18 32
  747 6.92 69
  756 5.49 55
  757 6.38 64
  758 11.49 115
  759 1.5 15
  770 5.15 52
  774 2.41 24
  775 11.94 119
  776 20.21 202
  777 32.38 324
  778 8.71 87
  779 7.4 74
  796 7.27 73
  799 5.07 51
  800 9.43 94
//