ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006336
RECORD_TITLE: 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2-HYDROXY-4-METHOXYACETOPHENONE (4,4,4-D3)
CH$NAME: 2-HYDROXY-4-DEUTEROMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: [2H]C([2H])([2H])Oc(c1)cc(O)c(c1)C(C)=O
CH$IUPAC: InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3/i2D3
CH$LINK: INCHIKEY UILPJVPSNHJFIK-BMSJAHLVSA-N
AC$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-0udi-3900000000-47a88bad8ed95e738e65
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  40 2.5 25
  41 2 20
  42 2.5 25
  43 1.85 19
  44 1.5 15
  50 4.2 42
  51 7.5 75
  52 0.83 8
  53 6.3 63
  54 1.9 19
  55 2.5 25
  62 0.25 3
  63 5.4 54
  64 2.2 22
  65 2.5 25
  66 0.45 5
  67 1.8 18
  69 6.5 65
  70 1.5 15
  77 0.25 3
  79 6.5 65
  80 4.2 42
  81 1 10
  91 0.1 1
  93 1 10
  94 3 30
  97 1 10
  98 1.98 20
  99 1.5 15
  105 1.5 15
  107 1.5 15
  108 0.8 8
  123 1.8 18
  125 1 10
  126 3 30
  136 0.1 1
  137 1 10
  140 3 30
  151 1.1 11
  152 0.18 2
  153 5.5 55
  154 99.99 999
  155 12.5 125
  168 0.25 3
  169 44 440
  170 3.8 38
//
