ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001253
RECORD_TITLE: 7-METHOXY(TRANS)FLAVAN-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$NAME: 7-METHOXY(TRANS)FLAVAN-4BETA-OL
CH$NAME: 7-METHOXY-TRANS-2-PHENYLCHROMAN-4(R)-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$IUPAC: InChI=1S/C16H16O3/c1-18-12-7-8-13-14(17)10-15(19-16(13)9-12)11-5-3-2-4-6-11/h2-9,14-15,17H,10H2,1H3/t14-,15+/m1/s1
CH$LINK: INCHIKEY GMKMWNMOLXKFNU-CABCVRRESA-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$SPLASH: splash10-000i-2690000000-cf33074104c76bb07c7c
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  28 7 70
  39 4 40
  43 2 20
  50 0.2 2
  51 7 70
  52 1.3 13
  62 1 10
  63 0.6 6
  64 2 20
  65 3 30
  69 4.7 47
  74 0.1 1
  75 2 20
  76 4.7 47
  77 10 100
  78 0.2 2
  79 1 10
  88 2 20
  89 7.3 73
  90 0.13 1
  91 3 30
  92 1 10
  102 2.3 23
  103 0.1 1
  105 7 70
  115 7 70
  118 6.7 67
  119 0.87 9
  126 1 10
  127 1.3 13
  128 2 20
  133 0.1 1
  139 3 30
  140 1 10
  141 1 10
  146 0.3 3
  150 1 10
  151 3 30
  152 8 80
  153 0.2 2
  161 68 680
  162 6.7 67
  163 1.3 13
  164 0.13 1
  165 16.7 167
  166 4 40
  167 3 30
  176 0.3 3
  177 4 40
  178 4.7 47
  179 2 20
  194 1.2 12
  195 4.7 47
  205 1 10
  207 5.3 53
  210 0.13 1
  222 4 40
  223 11 110
  224 2 20
  237 99.99 999
  238 93 930
  239 15 150
  240 2 20
//