MassBank Record: JP001415



 AFLATOXIN G2; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001415
RECORD_TITLE: AFLATOXIN G2; 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$NAME: AFLATOXIN G2 CH$NAME: 3,4,7AALPHA,9,10,10AALPHA-HEXAHYDRO-5-METHOXY-1H;12H-FURO(3',2':4,5)FURO(2,3-H)PYRANO(3,4-C)(1)BENZOPYRAN-1,12-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H14O7 CH$EXACT_MASS: 330.07395 CH$SMILES: COc(c3)c(C5=4)c(OC(=O)C(C(=O)OCC5)4)c(c31)C([H])(C2)C([H])(OC2)O1 CH$IUPAC: InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3/t8-,17+/m0/s1
AC$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: splash10-001i-0059000000-b9b2d2c3f3d2a225a3cd PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 187 1.8 18 199 1.1 11 201 3.4 34 213 0.16 2 214 1.1 11 215 5.4 54 216 1.6 16 227 0.24 2 229 5.1 51 230 2.5 25 241 2.9 29 243 1.07 11 244 2.4 24 257 5.2 52 258 5.7 57 259 0.23 2 269 5.6 56 271 4.7 47 272 8.3 83 273 0.23 2 283 1.6 16 285 3.6 36 286 18.8 188 287 1.95 20 288 4.2 42 299 2.7 27 300 2.1 21 301 0.78 8 302 2.5 25 314 2.5 25 315 2.6 26 328 0.29 3 329 2.1 21 330 99.99 999 331 19 190 332 5.7 57 //