MassBank Record: JP000169



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

ACCESSION: JP000169
RECORD_TITLE: KUWANON-G; 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$NAME: KUWANON-G CH$NAME: ALVANIN-F 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$IUPAC: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
AC$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$SPLASH: splash10-0006-0000119300-e4cda98b87af8c669786 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 115 9.5 95 254 5.77 58 255 2.99 30 317 7.77 78 327 4.91 49 354 6.89 69 388 1.54 15 409 20.87 209 420 1.69 17 422 4.89 49 483 30.26 303 529 3.75 38 534 4.78 48 553 6 60 558 5.88 59 560 4.89 49 562 6.64 66 582 16.07 161 583 12.17 122 584 3.39 34 594 9 90 636 3.6 36 639 5.14 51 648 2.64 26 662 13.84 138 663 8.93 89 671 5.14 51 672 5.58 56 673 14.26 143 675 1.58 16 677 8.03 80 678 10.15 102 685 4.97 50 686 3.71 37 687 2.47 25 689 1.21 12 690 20.91 209 691 31.04 310 692 72.01 720 693 99.99 999 694 94.72 947 695 26.91 269 696 19.65 197 706 5.33 53 707 2.85 29 708 5.46 55 709 4.99 50 710 1 10 711 4.26 43 712 2.57 26 713 9.82 98 714 9.92 99 715 48.83 488 716 23.54 235 717 17.02 170 726 2.87 29 731 6.74 67 732 8.19 82 739 1.25 13 750 2.47 25 756 1.96 20 777 12.83 128 795 10.36 104 799 2.8 28 //