ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000690
RECORD_TITLE: 3'-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$NAME: 3'-CHLOROFLAVONOL
CH$NAME: 2-(3-CHLOROPHENYL)-3-HYDROXY-4H-CHROMEN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9ClO3
CH$EXACT_MASS: 272.02402
CH$SMILES: Clc(c3)cc(cc3)C(O1)=C(O)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H9ClO3/c16-10-5-3-4-9(8-10)15-14(18)13(17)11-6-1-2-7-12(11)19-15/h1-8,18H
CH$LINK: INCHIKEY VEJWQQOOYBOGGJ-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$SPLASH: splash10-00di-2390000000-fb5db96035acd2f736c6
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  32 2.8 28
  36 2.1 21
  38 1.7 17
  39 0.42 4
  41 1.7 17
  43 1.7 17
  50 6.9 69
  51 0.62 6
  62 2.6 26
  63 7 70
  64 4.8 48
  65 0.41 4
  69 1.7 17
  74 3.2 32
  75 8.7 87
  76 1.4 14
  77 8.7 87
  87 1.6 16
  89 5.5 55
  92 0.86 9
  93 2.4 24
  104 9.2 92
  105 6.7 67
  111 0.95 10
  113 3.1 31
  118 8.5 85
  118.5 3.1 31
  120 0.57 6
  121 5.5 55
  123 1.8 18
  136 1.9 19
  139 0.39 4
  149 11.5 115
  150 1.9 19
  151 3.1 31
  152 1.3 13
  153 5.2 52
  181 13.3 133
  182 1.6 16
  208 0.32 3
  209 15.5 155
  210 2.4 24
  215 2.6 26
  237 1.25 13
  238 2.7 27
  243 1.6 16
  244 4.6 46
  246 0.17 2
  271 48.1 481
  272 99.99 999
  273 30.8 308
  274 3.37 34
  275 5.4 54
//
