MassBank Record: JP000157



 SANGGENON-C; FD-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //