ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000730
RECORD_TITLE: 4',5-DIHYDROXY-7-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$NAME: 4',5-DIHYDROXY-7-METHOXYFLAVANONE
CH$NAME: SAKURANETIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄O₅
CH$EXACT_MASS: 286.08412
CH$SMILES: COc(c3)cc(O1)c(c(O)3)C(=O)CC([H])1c(c2)ccc(O)c2
CH$IUPAC: InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1
CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-CQSZACIVSA-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$SPLASH: splash10-00li-8940000000-baea1e92226cb062bfe3
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
  30 2 20
  31 57.8 578
  32 34.4 344
  38 0.37 4
  39 20.9 209
  40 2.7 27
  41 9.4 94
  42 0.36 4
  43 12.8 128
  44 12.2 122
  45 32.2 322
  46 1.04 10
  50 5.3 53
  51 17.8 178
  52 5.7 57
  53 0.88 9
  55 7.1 71
  56 2.9 29
  57 5.3 53
  59 0.23 2
  60 2.2 22
  63 5 50
  64 1.9 19
  65 1.43 14
  66 4 40
  67 5.4 54
  68 2.4 24
  69 4.67 47
  74 2.4 24
  76 2.3 23
  77 7.2 72
  78 1.37 14
  79 4.1 41
  81 2.2 22
  89 1.9 19
  91 2.04 20
  92 2.7 27
  93 2.4 24
  94 4.1 41
  95 2.89 29
  96 2 20
  104 1.8 18
  105 2.4 24
  107 1.29 13
  108 2.7 27
  110 11.3 113
  111 3 30
  118 0.18 2
  119 16 160
  120 47.8 478
  121 7.2 72
  122 0.53 5
  123 4.9 49
  129 1.8 18
  131 6.7 67
  135 0.18 2
  136 2.4 24
  137 3.1 31
  138 26.4 264
  139 0.21 2
  147 2.2 22
  149 19.6 196
  150 3.1 31
  166 3.56 36
  167 99.99 999
  168 8.8 88
  169 3.2 32
  180 3.11 31
  181 5.4 54
  192 10.2 102
  193 33.3 333
  194 0.28 3
  243 4.1 41
  258 3.1 31
  268 3.9 39
  269 0.5 5
  270 2 20
  285 42.2 422
  286 90 900
  287 14.4 144
//