ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001248
RECORD_TITLE: 3,3-DIDEUTEROFLAVAN-4-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$NAME: 3,3-DIDEUTEROFLAVAN-4-OL
CH$NAME: 2-PHENYL(3,3-2H2)CHROMAN-4-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H14O2
CH$EXACT_MASS: 226.09938
CH$SMILES: c(c3)ccc(c3)C(O1)C([2H])([2H])C(O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2/i10D2
CH$LINK: INCHIKEY YTMFRMLVZQOBDR-KBMKNGFXSA-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$SPLASH: splash10-0a4i-0940000000-c299d5775caed9fe255a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  104 4 40
  105 25 250
  106 99.99 999
  107 1.3 13
  108 1 10
  109 0.3 3
  120 0.5 5
  121 0.6 6
  122 25 250
  123 3 30
  131 1 10
  132 0.5 5
  133 0.3 3
  150 4.3 43
  206 0.3 3
  207 0.5 5
  208 21 210
  209 30 300
  210 7 70
  211 0.1 1
  212 0.3 3
  225 0.3 3
  226 1.3 13
  227 0.43 4
  228 18 180
  229 3.3 33
//
