ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000703
RECORD_TITLE: 8-IODO-4',5,7-TRIMETHOXYFLAVONE; 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$NAME: 8-IODO-4',5,7-TRIMETHOXYFLAVONE
CH$NAME: 8-IODO-5,7-DIMETHOXY-2-(4-METHOXYPHENYL)-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₁₅IO₅
CH$EXACT_MASS: 437.99642
CH$SMILES: COc(c3)ccc(c3)C(=C2)Oc(c(I)1)c(C(=O)2)c(OC)cc(OC)1
CH$IUPAC: InChI=1S/C18H15IO5/c1-21-11-6-4-10(5-7-11)13-8-12(20)16-14(22-2)9-15(23-3)17(19)18(16)24-13/h4-9H,1-3H3
CH$LINK: INCHIKEY IQMRCLWZANBISD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40332796

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$SPLASH: splash10-000i-6410900000-c9eca4745cbf56371841
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  32 7 70
  39 5.5 55
  41 2.2 22
  43 0.21 2
  50 5.6 56
  51 5.2 52
  53 8.4 84
  55 0.26 3
  59 2 20
  61 2.4 24
  62 5.3 53
  63 1.34 13
  64 5.2 52
  65 3.5 35
  69 13.7 137
  74 0.3 3
  75 6 60
  76 3 30
  77 12.1 121
  78 0.35 4
  83 3 30
  89 19.2 192
  90 5 50
  91 0.58 6
  92 7.1 71
  93 8.8 88
  95 2.9 29
  102 0.2 2
  105 2.8 28
  107 1.9 19
  108 2.3 23
  112.5 0.21 2
  117 11.9 119
  119 8.5 85
  120 2.4 24
  121 0.35 4
  126 2.6 26
  127 4.3 43
  128 7 70
  132 2.56 26
  133 4.1 41
  134 3.8 38
  135 10.2 102
  136 0.98 10
  139 2.3 23
  149 16.3 163
  150 2.7 27
  159 0.19 2
  164 4.4 44
  169 2.9 29
  179 4.7 47
  205 2.08 21
  205.5 3.7 37
  250 3 30
  251 3.4 34
  263 0.48 5
  265 4.1 41
  266 2 20
  268 4.3 43
  276 1.42 14
  277 2 20
  281 5.2 52
  365 3.3 33
  392 1.84 18
  393 3.6 36
  394 3.3 33
  395 3.5 35
  407 1.21 12
  408 6.7 67
  409 23 230
  410 4.2 42
  421 0.42 4
  437 31.4 314
  438 99.99 999
  439 20 200
  440 2.3 23
//