ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001254
RECORD_TITLE: 7-METHOXY(TRANS)FLAVAN-4ALPHA-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$NAME: 7-METHOXY(TRANS)FLAVAN-4ALPHA-OL
CH$NAME: 7-METHOXY-TRANS-2-PHENYLCHROMAN-4(S)-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H16O3
CH$EXACT_MASS: 256.10994
CH$SMILES: COc(c3)cc(O1)c(c3)C([H])(O)CC([H])(c(c2)cccc2)1
CH$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15+/m0/s1
CH$LINK: INCHIKEY GMKMWNMOLXKFNU-LSDHHAIUSA-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$SPLASH: splash10-01p9-3980000000-a6c7cf30d607db4ddb05
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  28 8 80
  39 4 40
  43 3 30
  44 0.2 2
  50 2 20
  51 6 60
  52 1 10
  63 0.5 5
  64 1.3 13
  65 3 30
  69 4 40
  75 0.2 2
  76 6 60
  77 10.7 107
  78 2 20
  79 0.1 1
  88 1.3 13
  89 6 60
  91 2.3 23
  102 0.2 2
  105 6 60
  115 5.3 53
  118 5 50
  119 0.8 8
  128 1 10
  139 3 30
  140 1 10
  141 0.1 1
  146 2 20
  151 2 20
  152 6 60
  153 0.17 2
  160 2 20
  161 60 600
  162 6 60
  163 0.1 1
  164 1 10
  165 16 160
  166 4 40
  167 0.2 2
  176 2 20
  177 3 30
  178 4 40
  179 0.1 1
  194 12 120
  195 4 40
  207 5 50
  222 0.4 4
  223 10 100
  224 1.3 13
  237 99.99 999
  238 8.8 88
  239 14 140
  240 1.3 13
//
