ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
CH$LINK: INCHIKEY APPXYONGBIXGRO-QPFJYYDMSA-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$SPLASH: splash10-0006-0000119300-e4cda98b87af8c669786
PK$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
//