ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000675
RECORD_TITLE: 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE; 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$NAME: 6-HYDROXYFLAVANONE HYDROGENEPHTHALATE
CH$NAME: 4-OXO-2-PHENYLCHROMAN-6-YL HYDROGEN PHTHALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₁₆O₆
CH$EXACT_MASS: 388.09469
CH$SMILES: OC(=O)c(c4)c(ccc4)C(=O)Oc(c3)cc(C(=O)2)c(c3)OC(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C23H16O6/c24-19-13-21(14-6-2-1-3-7-14)29-20-11-10-15(12-18(19)20)28-23(27)17-9-5-4-8-16(17)22(25)26/h1-12,21H,13H2,(H,25,26)
CH$LINK: INCHIKEY BMZDOTQPNIOTIM-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$SPLASH: splash10-000i-4930000000-c6422eeeaac40641f014
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  32 3.6 36
  39 3.4 34
  50 3.8 38
  51 1.08 11
  52 15.6 156
  53 6.8 68
  54 3.4 34
  55 0.26 3
  63 3.4 34
  65 1.3 13
  69 2.9 29
  74 0.12 1
  76 1.4 14
  77 10.6 106
  78 6.9 69
  79 0.36 4
  80 12.5 125
  81 2 20
  82 4.8 48
  91 0.22 2
  101 4.9 49
  102 2.1 21
  103 11 110
  104 1.13 11
  105 1.7 17
  107 1.8 18
  108 15.6 156
  109 0.16 2
  129 2 20
  131 1.9 19
  135 2.9 29
  136 99.99 999
  137 11.6 116
  138 1 10
  149 4 40
  162 0.1 1
  163 14.7 147
  164 1.2 12
  223 1.6 16
  239 1.16 12
  240 50.9 509
  241 7.9 79
//