ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001413
RECORD_TITLE: AFLATOXINE B2; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: AFLATOXINE B2
CH$NAME: 2,3,6AALPHA,8,9,9AALPHA-HEXAHYDRO-4-METHOXYCYCLOPENTA(C)FURO(3',2':4,5)FURO(2,3-H)(1)BENZOPYRAN-1,11-DIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₄O₆
CH$EXACT_MASS: 314.07904
CH$SMILES: COc(c1)c(C5=4)c(OC(=O)C(C(=O)CC5)4)c(C32)c(OC(OCC3)2)1
CH$IUPAC: InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3
CH$LINK: INCHIKEY WWSYXEZEXMQWHT-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03di-0039000000-610151efc4e68c6939eb
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  229 1.5 15
  243 2.8 28
  269 3.7 37
  271 4.26 43
  272 7.8 78
  283 2.1 21
  285 15.6 156
  286 0.66 7
  299 3.4 34
  314 99.99 999
  315 19.5 195
  316 2 20
//