ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$IUPAC: InChI=1S/C21H16O8/c1-11(22)26-15-6-4-14(5-7-15)18-10-17(25)21-19(28-13(3)24)8-16(27-12(2)23)9-20(21)29-18/h4-10H,1-3H3
CH$LINK: INCHIKEY IVXFOQQPPONQTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70186805
AC$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
//
