MassBank Record: JP000141



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

ACCESSION: 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$IUPAC: InChI=1S/C27H24N2O9/c1-9-5-10-6-11-7-14-18-19(15(11)21(31)16(10)27(34)29(9)28)23(33)20-22(32)17-12(30)3-4-13(35-2)24(17)38-26(20)25(18)37-8-36-14/h5-6,12-14,30-31,33H,3-4,7-8,28H2,1-2H3/t12-,13+,14+/m0/s1
AC$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 //