MassBank Record: JP002083



 4',5,7-TRIACETOXYFLAVONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002083
RECORD_TITLE: 4',5,7-TRIACETOXYFLAVONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4',5,7-TRIACETOXYFLAVONE CH$NAME: APIGENIN TRIACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H16O8 CH$EXACT_MASS: 396.08452 CH$SMILES: CC(=O)Oc(c3)ccc(c3)C(=C2)Oc(c1)c(C(=O)2)c(OC(C)=O)cc(OC(C)=O)1 CH$IUPAC: InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-10H,1-3H3
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-2196000000-a18763eb8abcb4726b12 PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 15 0.7 7 18 0.7 7 28 1.6 16 41 0.07 1 42 1.8 18 43 17.8 178 44 0.7 7 55 0.04 0 57 0.7 7 67 0.4 4 68 0.4 4 69 0.09 1 71 0.9 9 81 0.7 7 85 0.7 7 91 0.04 0 95 0.7 7 96 0.9 9 97 0.7 7 111 0.09 1 118 3.3 33 119 1.8 18 121 1.6 16 123 0.24 2 124 4.7 47 144 0.4 4 151 4.9 49 152 0.69 7 153 0.7 7 213 1.8 18 241 5.6 56 242 0.62 6 243 1.1 11 253 0.7 7 257 0.4 4 268 0.07 1 269 5.3 53 270 99.99 999 271 8.4 84 272 0.27 3 283 0.7 7 300 6.7 67 301 1.3 13 311 0.36 4 312 23.3 233 313 4.4 44 314 0.9 9 342 0.22 2 343 0.7 7 354 38.9 389 355 8.7 87 356 0.16 2 384 1.6 16 385 0.4 4 386 0.2 2 396 0.02 0 397 0.4 4 //