ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000719
RECORD_TITLE: 5,7-DIHYDROXY-6,8-DIMETHYL-4'-METHOXYFLAVANONE; 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$NAME: 5,7-DIHYDROXY-6,8-DIMETHYL-4'-METHOXYFLAVANONE
CH$NAME: MATTEUCINOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₅
CH$EXACT_MASS: 314.11542
CH$SMILES: COc(c3)ccc(c3)C(C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
CH$IUPAC: InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3
CH$LINK: INCHIKEY DZTRDRPCROOSOG-UHFFFAOYSA-N

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$SPLASH: splash10-0gx0-3902000000-152c66585f296cae17e7
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  32 3.2 32
  39 7.2 72
  41 5.8 58
  43 0.87 9
  45 1.4 14
  51 5.1 51
  52 2.2 22
  53 0.38 4
  55 8.9 89
  63 3.2 32
  65 10.5 105
  66 0.21 2
  67 4 40
  69 9.1 91
  77 9.5 95
  78 0.49 5
  79 2.2 22
  81 2.4 24
  82 2.5 25
  83 0.99 10
  89 2.8 28
  90 1.7 17
  91 17.4 174
  92 0.21 2
  95 6.3 63
  96 2.7 27
  103 1.9 19
  107 0.17 2
  119 14.5 145
  120 1.8 18
  121 23.7 237
  122 0.22 2
  123 4.6 46
  124 10 100
  133 2.1 21
  134 4.65 47
  135 8.6 86
  143 1.4 14
  149 4.6 46
  151 0.79 8
  152 77.2 772
  153 6.5 65
  157 3.9 39
  179 0.42 4
  180 99.99 999
  181 12.2 122
  206 4 40
  207 0.53 5
  313 8.2 82
  314 57 570
  315 10.6 106
//