ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001123
RECORD_TITLE: 4',5,7-TRIHYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE; 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$NAME: 4',5,7-TRIHYDROXY-3'-(3-METHYL-2-BUTENYL)ISOFLAVONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₁₈O₅
CH$EXACT_MASS: 338.11542
CH$SMILES: CC(C)=CCc(c(O)3)cc(cc3)C(=C1)C(=O)c(c(O)2)c(cc(O)c2)O1
CH$IUPAC: InChI=1S/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3
CH$LINK: INCHIKEY SWDSVBNAMCDHTF-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$SPLASH: splash10-0uel-9653000000-9e7c1c95ff1fcbcaec3b
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  41 35 350
  42 12 120
  43 48 480
  45 12 120
  50 20 200
  51 23 230
  52 14 140
  53 17 170
  55 30 300
  57 23 230
  63 15 150
  65 15 150
  69 26 260
  71 12 120
  76 12 120
  77 33 330
  78 21 210
  79 12 120
  81 12 120
  83 12 120
  89 9 90
  91 15 150
  93 9 90
  95 9 90
  96 15 150
  97 9 90
  102 9 90
  103 13 130
  104 9 90
  105 13 130
  107 9 90
  108 9 90
  109 9 90
  111 9 90
  115 25 250
  123 9 90
  124 21 210
  127 9 90
  128 15 150
  131 17 170
  133 9 90
  139 13 130
  141 15 150
  152 21 210
  153 63 630
  154 11 110
  155 9 90
  165 8 80
  169 7 70
  181 8 80
  185 7 70
  197 8 80
  253 40 400
  254 19 190
  255 15 150
  269 13 130
  270 8 80
  282 20 200
  283 93 930
  284 19 190
  295 25 250
  296 11 110
  297 8 80
  305 7 70
  309 20 200
  321 10 100
  323 23 230
  337 11 110
  338 99.99 999
  339 25 250
  340 5 50
//