ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000697
RECORD_TITLE: 3-TOSYLOXYFLAVANONE; 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$NAME: 3-TOSYLOXYFLAVANONE
CH$NAME: 2-PHENYL-3-TOSYLOXYCHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₁₈O₅S
CH$EXACT_MASS: 394.08749
CH$SMILES: Cc(c4)ccc(c4)S(=O)(=O)OC(C(=O)1)C(c(c3)cccc3)Oc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C22H18O5S/c1-15-11-13-17(14-12-15)28(24,25)27-22-20(23)18-9-5-6-10-19(18)26-21(22)16-7-3-2-4-8-16/h2-14,21-22H,1H3
CH$LINK: INCHIKEY GBGORJRCCXMRKG-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$SPLASH: splash10-022c-6940000000-ff8239af20b12daeb46b
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  38 3.3 33
  39 13.3 133
  41 1.8 18
  50 0.65 7
  51 13.3 133
  52 3.2 32
  53 2.2 22
  55 0.15 2
  62 2.6 26
  63 13.3 133
  64 10.8 108
  65 2.33 23
  66 1.9 19
  74 1.9 19
  75 2.3 23
  76 0.7 7
  77 22.5 225
  78 7 70
  79 3.1 31
  89 0.57 6
  90 4.7 47
  91 62.9 629
  92 21.2 212
  93 1.17 12
  94 1 10
  104 1.2 12
  105 10.8 108
  106 0.13 1
  118 2.6 26
  119 3.7 37
  120 49.2 492
  121 99.99 999
  122 9.3 93
  133 67.5 675
  134 7.6 76
  149 0.34 3
  152 2.2 22
  153 1 10
  155 1.1 11
  165 0.49 5
  181 3.8 38
  183 5.3 53
  211 86.7 867
  212 1.37 14
  213 1 10
  223 1.3 13
  240 29.2 292
  241 4.5 45
//