ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000682
RECORD_TITLE: 6-HYDROXY-2'-METHOXYFLAVANONE ACETATE; 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$NAME: 6-HYDROXY-2'-METHOXYFLAVANONE ACETATE
CH$NAME: 6-ACETHOXY-2'-METHOXYFLAVANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₆O₅
CH$EXACT_MASS: 312.09977
CH$SMILES: CC(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C18H16O5/c1-11(19)22-12-7-8-17-14(9-12)15(20)10-18(23-17)13-5-3-4-6-16(13)21-2/h3-9,18H,10H2,1-2H3
CH$LINK: INCHIKEY GTJHJYSMVKNZOP-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$SPLASH: splash10-000i-7922000000-1c8a6f84334f58e07e39
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  32 3.4 34
  39 6 60
  41 4 40
  42 0.26 3
  43 70 700
  44 3.5 35
  45 2.3 23
  50 0.25 3
  51 11.1 111
  52 7 70
  53 12 120
  55 0.33 3
  57 2.6 26
  63 6 60
  65 11.8 118
  69 0.23 2
  77 10.3 103
  78 5.9 59
  79 14.1 141
  80 0.73 7
  82 2.1 21
  89 3.9 39
  90 2.8 28
  91 5.13 51
  92 4.1 41
  103 5.1 51
  104 2 20
  105 0.64 6
  107 14 140
  108 22.5 225
  118 3.8 38
  119 5.13 51
  120 4.4 44
  121 7.4 74
  133 3 30
  134 7.88 79
  135 21 210
  136 99.99 999
  137 12.9 129
  149 1.04 10
  162 3.9 39
  163 11 110
  238 16.8 168
  239 3.5 35
  240 4.5 45
  255 3.5 35
  269 13.3 133
  270 7.13 71
  271 12 120
  312 52.5 525
  313 9.3 93
//