ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001268
RECORD_TITLE: 7-METHOXYISOFLAVAN-4BETA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 7-METHOXYISOFLAVAN-4BETA-OL
CH$NAME: 7-METHOXY-3-PHENYLCHROMAN-4(R)-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₆O₃
CH$EXACT_MASS: 256.10994
CH$SMILES: COc(c3)cc(O2)c(c3)C([H])(O)C(C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-9,14,16-17H,10H2,1H3/t14?,16-/m0/s1
CH$LINK: INCHIKEY FNCVQDHRTCWUHR-WMCAAGNKSA-N

AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-000i-1590000000-9ff83737ab9ad89f24a5
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  29 2.7 27
  39 2.7 27
  51 5 50
  62 0.1 1
  63 4 40
  64 1.3 13
  65 2 20
  69 0.33 3
  74 1 10
  75 2 20
  76 4 40
  77 0.8 8
  78 1 10
  87 1 10
  88 2 20
  89 0.4 4
  90 0.7 7
  91 3 30
  92 1 10
  102 0.2 2
  103 1.3 13
  105 6.7 67
  114 5 50
  118 0.2 2
  119 7.3 73
  126 1 10
  127 1.3 13
  128 0.2 2
  139 4 40
  140 1 10
  141 1 10
  146 0.13 1
  151 2 20
  152 7.3 73
  153 2 20
  160 0.2 2
  161 44 440
  162 6 60
  163 2 20
  164 0.17 2
  165 18 180
  166 7 70
  167 2.7 27
  176 0.2 2
  177 3 30
  178 5 50
  179 2 20
  194 1.23 12
  195 5 50
  207 4 40
  210 1 10
  222 0.4 4
  223 10 100
  224 2 20
  237 91 910
  238 99.99 999
  239 17.3 173
  240 1.3 13
//