MassBank Record: JP000140



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

ACCESSION: JP000140
RECORD_TITLE: KALAMYCIN; 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$NAME: KALAMYCIN CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H12O6 CH$EXACT_MASS: 300.06339 CH$SMILES: O=C(C4)OC([H])(C([H])41)c(c(=O)2)c(c(=O)c(c(O)3)c(ccc3)2)C([H])(C)O1 CH$IUPAC: InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16+/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: splash10-0uk9-0059000000-27fa282657755c5c5822 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 150 3.82 38 163 4.21 42 202 3.09 31 244 7.88 79 258 7.65 77 270 48.08 481 271 25.82 258 272 17.76 178 300 99.99 999 301 46.96 470 302 12.64 126 303 8.46 85 //