ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012049
RECORD_TITLE: 1-(2-HYDROXY-3-METHOXYPHENYL)ETHANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 1-(2-HYDROXY-3-METHOXYPHENYL)ETHANONE
CH$NAME: 2'-HYDROXY-3'-METHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)c(O)c(cc1)C(C)=O
CH$IUPAC: InChI=1S/C9H10O3/c1-6(10)7-4-3-5-8(12-2)9(7)11/h3-5,11H,1-2H3
CH$LINK: INCHIKEY VZEOJJIAYZCDPI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50220574

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0uxr-3900000000-39414c0fd050ec3f742f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  39 1.78 18
  41 2.89 29
  43 17.6 176
  51 1.92 19
  52 5.63 56
  53 1.79 18
  55 1.36 14
  65 6.69 67
  66 1.75 18
  67 5.75 58
  69 1.3 13
  77 13.73 137
  78 1.53 15
  79 1.74 17
  80 3.92 39
  81 3.94 39
  91 1.54 15
  92 1.79 18
  93 6.99 70
  94 1.72 17
  95 2.06 21
  105 9.41 94
  106 1 10
  107 1.81 18
  108 18.87 189
  109 4.08 41
  120 1.26 13
  121 2.3 23
  122 1.31 13
  123 4.58 46
  133 6.08 61
  136 10.46 105
  137 1.86 19
  147 1.09 11
  148 3.65 37
  151 99.99 999
  152 9.24 92
  153 1.01 10
  166 65.35 654
  167 8.32 83
  168 0.83 8
//