ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000689
RECORD_TITLE: 4-ACETHOXY-7-METHOXYFLAVAN; 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$NAME: 4-ACETHOXY-7-METHOXYFLAVAN
CH$NAME: 7-METHOXY-2-PHENYLCHROMAN-4-YL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₈O₄
CH$EXACT_MASS: 298.12051
CH$SMILES: COc(c3)cc(O1)c(c3)C(OC(C)=O)CC(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C18H18O4/c1-12(19)21-18-11-16(13-6-4-3-5-7-13)22-17-10-14(20-2)8-9-15(17)18/h3-10,16,18H,11H2,1-2H3
CH$LINK: INCHIKEY RJUZLULBRKENPV-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$SPLASH: splash10-000i-5980000000-ada1fb6e2bea95cac1da
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  32 3.1 31
  39 6 60
  41 2.9 29
  43 4.06 41
  45 7.9 79
  50 3.3 33
  51 11.2 112
  52 0.31 3
  55 1.8 18
  60 5.8 58
  63 8.6 86
  64 0.29 3
  65 6.9 69
  69 7.2 72
  76 5.2 52
  77 1.58 16
  78 8.4 84
  79 3.5 35
  89 8.9 89
  90 0.32 3
  91 20.5 205
  92 2.9 29
  95 2.1 21
  102 0.28 3
  103 7.6 76
  104 10 100
  105 7 70
  107 0.32 3
  115 19.6 196
  116 2.3 23
  118 4.8 48
  119 0.58 6
  128 1.8 18
  131 2.2 22
  137 4 40
  139 0.22 2
  149 5.8 58
  150 8.4 84
  151 26 260
  152 3.02 30
  153 4.9 49
  161 56.2 562
  162 5.6 56
  165 1.07 11
  166 2.7 27
  167 2.5 25
  177 3.9 39
  178 0.73 7
  179 3.3 33
  194 3.9 39
  195 3 30
  207 0.45 5
  210 1.7 17
  223 10 100
  224 2.4 24
  237 7.6 76
  238 99.99 999
  239 46.9 469
  240 9 90
  298 7.2 72
//