ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000722
RECORD_TITLE: 3',4'-METHYLENDIOXYFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3',4'-METHYLENDIOXYFLAVANONE
CH$NAME: 2-(3,4-METHYLENEDIOXYPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O4
CH$EXACT_MASS: 268.07356
CH$SMILES: O=C(C1)c(c4)c(ccc4)OC1c(c2)cc(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C16H12O4/c17-12-8-15(20-13-4-2-1-3-11(12)13)10-5-6-14-16(7-10)19-9-18-14/h1-7,15H,8-9H2
CH$LINK: COMPTOX DTXSID10453568
CH$LINK: INCHIKEY VSTVOSHZGMALFF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11054657
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kb-3940000000-2db1aabc71133e640984
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  38 1.7 17
  39 5.4 54
  40 1 10
  41 0.32 3
  43 1.3 13
  44 1.9 19
  50 2.1 21
  51 0.37 4
  53 2 20
  55 3 30
  57 1.8 18
  62 0.25 3
  63 10.6 106
  64 7.4 74
  65 4.6 46
  69 0.29 3
  70 1.5 15
  76 1.7 17
  77 2.1 21
  78 0.17 2
  89 15.4 154
  90 5 50
  91 6.2 62
  92 0.89 9
  93 2 20
  105 1.5 15
  117 1.4 14
  118 0.15 2
  119 1.9 19
  120 3.2 32
  121 5.1 51
  122 0.67 7
  135 25 250
  136 2 20
  145 1.9 19
  146 0.25 3
  147 39.9 399
  148 99.99 999
  149 14.9 149
  150 0.17 2
  175 1.6 16
  181 1.2 12
  238 1.4 14
  251 0.42 4
  267 23.6 236
  268 68.7 687
  269 11.8 118
  270 1.4 14
//
