ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001124
RECORD_TITLE: 2',3'-DIHYDRO-5,7-DIHYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2',3'-DIHYDRO-5,7-DIHYDROXY-2',2'-DIMETHYL-3,6'-BI(4H-1-BENZOPYRAN)-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈O₅
CH$EXACT_MASS: 338.11542
CH$SMILES: Oc(c4)cc(O3)c(c(O)4)C(=O)C(=C([H])3)c(c2)cc(C1)c(c2)OC(C)(C)C1
CH$IUPAC: InChI=1S/C20H18O5/c1-20(2)6-5-12-7-11(3-4-16(12)25-20)14-10-24-17-9-13(21)8-15(22)18(17)19(14)23/h3-4,7-10,21-22H,5-6H2,1-2H3
CH$LINK: INCHIKEY VEFSEOVEILGQAE-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ugi-9221000000-8a0aac3e99d246bb8407
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  41 68 680
  42 13 130
  43 33 330
  44 8 80
  45 8 80
  47 8 80
  48 8 80
  49 18 180
  50 89 890
  51 75 750
  52 62 620
  53 18 180
  54 8 80
  55 25 250
  56 15 150
  57 15 150
  58 8 80
  61 8 80
  62 10 100
  63 30 300
  64 8 80
  65 15 150
  67 9 90
  68 8 80
  69 15 150
  70 5 50
  71 5 50
  73 8 80
  74 22 220
  75 12 120
  76 31 310
  77 68 680
  78 90 900
  79 31 310
  80 4 40
  81 9 90
  82 6 60
  83 7 70
  85 6 60
  89 6 60
  91 15 150
  92 7 70
  93 9 90
  95 6 60
  96 6 60
  102 6 60
  103 5 50
  104 11 110
  105 11 110
  107 5 50
  109 10 100
  115 10 100
  117 10 100
  119 9 90
  121 6 60
  122 5 50
  123 6 60
  127 6 60
  128 6 60
  129 6 60
  131 11 110
  133 8 80
  139 11 110
  141 10 100
  149 48 480
  150 10 100
  152 10 100
  153 17 170
  154 5 50
  155 5 50
  169 5 50
  205 12 120
  223 8 80
  253 30 300
  254 13 130
  255 11 110
  265 5 50
  269 14 140
  281 5 50
  282 39 390
  283 78 780
  284 18 180
  295 14 140
  296 7 70
  306 6 60
  309 15 150
  310 6 60
  321 8 80
  323 16 160
  337 8 80
  338 99.99 999
  339 25 250
//