ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000141
RECORD_TITLE: KANCHANOMYCIN; 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$NAME: KANCHANOMYCIN
CH$NAME: ALBOFUNGIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₂₄N₂O₉
CH$EXACT_MASS: 520.14818
CH$SMILES: c(c16)(cc(C=7[H])c(C(N(C7C)N)=O)c(O)6)CC([H])(O5)c(c4OC5)c(c(O)c(c43)C(=O)C(C2([H])O)=C(O3)C(OC)(CC2)[H])1
CH$IUPAC: InChI=1S/C27H24N2O9/c1-9-5-10-6-11-7-14-18-19(15(11)21(31)16(10)27(34)29(9)28)23(33)20-22(32)17-12(30)3-4-13(35-2)24(17)38-26(20)25(18)37-8-36-14/h5-6,12-14,30-31,33H,3-4,7-8,28H2,1-2H3/t12-,13+,14+/m0/s1
CH$LINK: INCHIKEY PUQUSQASXBNKCW-BFHYXJOUSA-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$SPLASH: splash10-00di-0000090000-a157b0674fe257c90b6c
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  472 3.75 38
  520 99.99 999
  521 21.26 213
  522 4.53 45
  533 3.26 33
  543 1.57 16
  554 3.54 35
  555 1.33 13
//