MassBank Record: JP001413



 AFLATOXINE B2; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$IUPAC: InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3
AC$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 //