MassBank Record: JP001414



 AFLATOXINE G1; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP001414
RECORD_TITLE: AFLATOXINE G1; 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$NAME: AFLATOXINE G1 CH$NAME: 3,4,7AALPHA,10AALPHA-TETRAMYDRO-5METHOXY-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: C17H12O7 CH$EXACT_MASS: 328.05830 CH$SMILES: COc(c3)c(C5=4)c(OC(=O)C(C(=O)OCC5)4)c(c31)C([H])(C([H])=2)C([H])(OC([H])2)O1 CH$IUPAC: InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3/t8-,17+/m0/s1
AC$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: splash10-004i-0089000000-f27dbf8b3b07f41e3b55 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 171 2 20 185 4.1 41 199 4.4 44 200 0.31 3 201 2.5 25 202 1.8 18 212 1.1 11 213 0.82 8 214 5.2 52 215 3 30 216 1.3 13 226 0.23 2 227 13 130 228 9.7 97 238 2.3 23 239 0.25 3 241 11.5 115 242 5.4 54 243 3.4 34 244 0.27 3 254 1.8 18 255 7.1 71 256 10.3 103 257 0.61 6 267 2.5 25 269 3.8 38 270 6.7 67 271 0.45 5 272 3.1 31 282 2.5 25 283 3.2 32 284 1.42 14 285 5.1 51 297 14.3 143 298 4.2 42 299 0.52 5 300 16.3 163 301 2.7 27 310 5 50 314 0.26 3 326 2.8 28 327 4.6 46 328 99.99 999 329 0.59 6 330 6 60 //