MassBank Record: JP002084



 3,3',4',5,7-PENTAACETOXYFLAVONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002084
RECORD_TITLE: 3,3',4',5,7-PENTAACETOXYFLAVONE; 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$NAME: 3,3',4',5,7-PENTAACETOXYFLAVONE CH$NAME: QUERCETIN PENTAACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C25H20O12 CH$EXACT_MASS: 512.09548 CH$SMILES: CC(=O)Oc(c3)cc(O1)c(c(OC(C)=O)3)C(=O)C(OC(C)=O)=C1c(c2)cc(OC(C)=O)c(OC(C)=O)c2 CH$IUPAC: InChI=1S/C25H20O12/c1-11(26)32-17-9-20(35-14(4)29)22-21(10-17)37-24(25(23(22)31)36-15(5)30)16-6-7-18(33-12(2)27)19(8-16)34-13(3)28/h6-10H,1-5H3
AC$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: splash10-0udr-0009300000-3cfb53b6cea03ded5248 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 14 4.1 41 15 0.9 9 18 0.9 9 28 0.28 3 29 0.6 6 40 2.5 25 41 11.9 119 42 3.44 34 43 0.9 9 69 0.6 6 93 0.6 6 109 0.06 1 121 0.9 9 122 0.6 6 123 0.6 6 135 0.09 1 136 2.2 22 151 1.3 13 152 3.1 31 217 0.25 3 228 1.3 13 229 1.3 13 253 0.9 9 254 0.41 4 255 0.6 6 267 1.3 13 272 0.9 9 273 1.75 18 274 4.7 47 285 1.3 13 286 3.8 38 287 0.13 1 301 21.9 219 302 99.99 999 303 17.5 175 304 0.31 3 316 5.3 53 317 3.8 38 318 0.6 6 326 0.09 1 327 0.6 6 328 2.5 25 343 5.9 59 344 9.69 97 345 20.3 203 346 3.8 38 357 2.2 22 358 0.31 3 370 1.6 16 385 2.5 25 386 84.4 844 387 1.84 18 388 3.8 38 399 0.9 9 400 1.6 16 412 0.13 1 428 46.9 469 429 11.9 119 430 2.5 25 442 0.09 1 470 37.5 375 471 12.5 125 472 3.1 31 512 0.34 3 513 0.9 9 //