ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003725
RECORD_TITLE: 1-HYDROXY-1-(3,5-DIMETHOXYPHENYL)-3-METHYLBUTANE; 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$NAME: 1-HYDROXY-1-(3,5-DIMETHOXYPHENYL)-3-METHYLBUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O3
CH$EXACT_MASS: 224.14124
CH$SMILES: COc(c1)cc(cc(OC)1)C(O)CC(C)C
CH$IUPAC: InChI=1S/C13H20O3/c1-9(2)5-13(14)10-6-11(15-3)8-12(7-10)16-4/h6-9,13-14H,5H2,1-4H3
CH$LINK: INCHIKEY VPSDZUQXYSKOSD-UHFFFAOYSA-N
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-3900000000-71ffe73bfc895574b6b0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 7 70
  41 8.1 81
  43 3.5 35
  51 0.23 2
  53 3.5 35
  55 2.3 23
  57 2.3 23
  63 0.23 2
  65 3.5 35
  69 2.3 23
  77 7 70
  92 0.35 4
  94 2.3 23
  95 2.3 23
  96 3.5 35
  107 0.47 5
  108 3.5 35
  109 3.5 35
  124 7 70
  139 0.47 5
  140 4.7 47
  151 2.3 23
  152 4.7 47
  167 1.86 19
  168 99.99 999
  169 9.3 93
  206 1.2 12
  224 1.63 16
  225 2.3 23
//
