ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006340
RECORD_TITLE: 2-HYDROXY-6-METHOXYACETOPHENONE (6,6,6-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$NAME: 2-HYDROXY-6-METHOXYACETOPHENONE (6,6,6-D3)
CH$NAME: 2-HYDROXY-6-DEUTEROMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: [2H]C([2H])([2H])Oc(c1)c(C(C)=O)c(O)cc1
CH$IUPAC: InChI=1S/C9H10O3/c1-6(10)9-7(11)4-3-5-8(9)12-2/h3-5,11H,1-2H3/i2D3
CH$LINK: INCHIKEY UENLHUMCIOWYQN-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$SPLASH: splash10-0udi-9500000000-552276658ba27c7087cc
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  40 11 110
  41 7.5 75
  42 12.5 125
  43 7.95 80
  44 5.5 55
  49 2.5 25
  50 19.5 195
  51 4.95 50
  52 45.5 455
  53 40 400
  54 3.8 38
  55 1.07 11
  56 2.5 25
  61 3 30
  62 11.5 115
  63 1.95 20
  64 9.5 95
  65 13.8 138
  66 34.5 345
  67 1 10
  68 5.5 55
  69 9.5 95
  70 6 60
  74 0.4 4
  75 3.5 35
  76 3.5 35
  77 16.5 165
  78 0.75 8
  79 12 120
  80 14.5 145
  81 4 40
  82 0.15 2
  83 3.5 35
  91 2 20
  92 3 30
  93 0.35 4
  94 11 110
  95 3.9 39
  98 3 30
  105 0.35 4
  106 1 10
  107 5.5 55
  108 19.5 195
  109 0.3 3
  121 2.5 25
  122 4 40
  123 2.8 28
  136 1.35 14
  137 3.8 38
  149 3 30
  150 3.5 35
  151 0.4 4
  152 3 30
  153 6 60
  154 99.99 999
  155 1.05 11
  169 34 340
  170 5.5 55
  171 1 10
//
