ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000674
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$SPLASH: splash10-001i-3950000000-35502bdd8c1bb70efa12
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  32 5.6 56
  39 8 80
  40 1.2 12
  41 0.68 7
  43 9.4 94
  44 2.6 26
  45 2 20
  50 0.2 2
  51 7.3 73
  52 3.6 36
  53 4.7 47
  54 0.11 1
  55 10.8 108
  56 1.9 19
  57 1.7 17
  63 0.23 2
  65 4.8 48
  66 2.8 28
  67 5.7 57
  68 0.13 1
  69 13.8 138
  74 1.1 11
  76 1.6 16
  77 1.47 15
  78 10.7 107
  79 3.1 31
  81 3.2 32
  82 0.33 3
  83 12.4 124
  89 1.3 13
  91 7.1 71
  95 0.84 8
  96 3.9 39
  97 1.6 16
  102 2 20
  103 1.02 10
  104 10.2 102
  105 3.2 32
  106 1 10
  107 0.2 2
  110 1 10
  111 1 10
  115 1.4 14
  119 0.3 3
  121 5.2 52
  123 5.6 56
  124 13.8 138
  125 0.16 2
  128 1.1 11
  131 1.8 18
  134 8.1 81
  135 0.22 2
  137 1 10
  141 1.3 13
  142 5.2 52
  149 0.41 4
  151 12.4 124
  152 91.1 911
  153 8.7 87
  154 0.14 1
  165 1.4 14
  178 1.3 13
  179 6.1 61
  180 99.99 999
  181 17.3 173
  182 1.7 17
  193 1.5 15
  206 0.32 3
  207 37.8 378
  208 4.4 44
  241 3.4 34
  255 0.13 1
  256 1.2 12
  266 3.7 37
  267 1.3 13
  282 0.25 3
  283 22.2 222
  284 99.6 996
  285 20 200
  286 0.26 3
  313 1.9 19
  314 17.3 173
  315 3.1 31
//