ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000693
RECORD_TITLE: 7-CHLOROFLAVONOL; 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$NAME: 7-CHLOROFLAVONOL
CH$NAME: 7-CHLORO-3-HYDROXY-2-PHENYL-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₉ClO₃
CH$EXACT_MASS: 272.02402
CH$SMILES: Clc(c3)cc(O1)c(c3)C(=O)C(O)=C1c(c2)cccc2
CH$IUPAC: InChI=1S/C15H9ClO3/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,18H
CH$LINK: INCHIKEY DAIAUZNYEIUDCP-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$SPLASH: splash10-00di-7390000000-eddd73ba5c5188f34a4d
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  32 3.7 37
  36 3.4 34
  39 9.2 92
  41 0.25 3
  44 2.5 25
  50 8.8 88
  51 20.2 202
  53 0.4 4
  62 6.6 66
  63 21.1 211
  64 4.2 42
  73 0.25 3
  74 8.2 82
  75 17.4 174
  76 11.7 117
  77 4.62 46
  78 5.4 54
  89 23.4 234
  90 11.2 112
  91 0.29 3
  98 2.9 29
  99 4.8 48
  104 4 40
  105 2.49 25
  110 8.8 88
  111 4.3 43
  112 3.1 31
  118 1 10
  122 6.8 68
  123 3.1 31
  126 4.5 45
  136 0.49 5
  138 4.2 42
  149 7.4 74
  151 3.4 34
  152 1.69 17
  153 6.2 62
  155 4.5 45
  181 8.9 89
  215 1.35 14
  217 4 40
  243 3.1 31
  244 8.9 89
  271 9.23 92
  272 99.99 999
  273 44.6 446
  274 32.3 323
  275 4.3 43
//