ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000711
RECORD_TITLE: 6-IODOFLAVANONE; 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$NAME: 6-IODOFLAVANONE
CH$NAME: 6-IODO-2-PHENYLCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₁IO₂
CH$EXACT_MASS: 349.98037
CH$SMILES: c(c3)ccc(c3)C(C1)Oc(c2)c(cc(I)c2)C(=O)1
CH$IUPAC: InChI=1S/C15H11IO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15H,9H2
CH$LINK: INCHIKEY QRHHQHRVDBZHGP-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$SPLASH: splash10-0udj-4498000000-4bbf1530b478a10ee17a
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  32 1.2 12
  38 1 10
  39 3.7 37
  45 0.1 1
  50 2.8 28
  51 6.4 64
  52 1.7 17
  53 0.19 2
  62 4.8 48
  63 26 260
  64 2.8 28
  65 0.15 2
  74 2.1 21
  75 2.8 28
  76 2.4 24
  77 1.18 12
  78 10.5 105
  89 2.1 21
  91 8 80
  92 0.26 3
  102 3 30
  103 16.7 167
  104 29.7 297
  105 0.31 3
  119 2.2 22
  120 1.8 18
  127 2.6 26
  128 0.32 3
  131 4.7 47
  146 1.1 11
  149 4 40
  152 0.17 2
  165 2.8 28
  166 1 10
  167 1.3 13
  175 0.17 2
  177 1.1 11
  190 3.2 32
  218 22.4 224
  219 0.24 2
  223 4 40
  246 97.4 974
  247 11.7 117
  248 0.1 1
  272 2.8 28
  273 21.4 214
  274 2.2 22
  333 0.3 3
  349 26.6 266
  350 99.99 999
  351 16.1 161
  352 1.6 16
//