ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY XUWPJKDMEZSVTP-LTYMHZPRSA-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$SPLASH: splash10-0uk9-0059000000-27fa282657755c5c5822
PK$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
//