ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001269
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-0490000000-483362adc8dba3a959d8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  152 3.3 33
  160 3 30
  161 56 560
  162 0.6 6
  167 0.7 7
  168 2 20
  189 0.7 7
  193 0.13 1
  194 0.7 7
  195 1.3 13
  207 6.7 67
  208 0.27 3
  209 1 10
  210 3.7 37
  211 0.7 7
  223 1 10
  224 2 20
  237 26.7 267
  238 99.99 999
  239 1.8 18
  240 2 20
//
