ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000729
RECORD_TITLE: 6-METHYLISOFLAVONE; 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$NAME: 6-METHYLISOFLAVONE
CH$NAME: 6-METHYL-3-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O₂
CH$EXACT_MASS: 236.08373
CH$SMILES: Cc(c3)cc(c(c3)2)C(=O)C(=CO2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)16(17)14(10-18-15)12-5-3-2-4-6-12/h2-10H,1H3
CH$LINK: INCHIKEY WPPSYROXFNGOGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80481550

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$SPLASH: splash10-000i-2490000000-bebdde24e6ac2e479871
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  32 2.1 21
  39 4 40
  50 3 30
  51 0.7 7
  52 5.2 52
  62 1.7 17
  63 5.8 58
  69 0.23 2
  74 1.7 17
  75 2.3 23
  76 6.3 63
  77 0.93 9
  78 16.5 165
  79 1.1 11
  89 6.3 63
  90 0.16 2
  91 1.1 11
  102 8.1 81
  103 1.5 15
  104 0.19 2
  105 11.9 119
  106 14 140
  117 3.1 31
  117.5 0.12 1
  118 8.1 81
  133 1.6 16
  134 40.7 407
  135 0.35 4
  149 3.7 37
  152 1.2 12
  165 3.1 31
  178 0.44 4
  179 2.1 21
  207 1.5 15
  208 1.2 12
  234 0.12 1
  235 99.99 999
  236 96.3 963
  237 18.5 185
  238 1.5 15
//