ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006338
RECORD_TITLE: 2-HYDROXY-5-METHOXYACETOPHENONE (5,5,5-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$NAME: 2-HYDROXY-5-METHOXYACETOPHENONE (5,5,5-D3)
CH$NAME: 2-HYDROXY-5-DEUTEROMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: [2H]C([2H])([2H])Oc(c1)cc(C(C)=O)c(O)c1
CH$IUPAC: InChI=1S/C9H10O3/c1-6(10)8-5-7(12-2)3-4-9(8)11/h3-5,11H,1-2H3/i2D3
CH$LINK: INCHIKEY MLIBGOFSXXWRIY-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$SPLASH: splash10-0udi-8900000000-83ac0166cccfd92b7962
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  40 10 100
  41 5 50
  42 2.8 28
  43 6.4 64
  44 2.2 22
  50 20 200
  51 26 260
  52 3.45 35
  53 32 320
  54 11 110
  55 13 130
  56 0.3 3
  57 2 20
  61 5.5 55
  62 8.1 81
  63 2.5 25
  64 6 60
  65 9.5 95
  66 22.8 228
  67 1.25 13
  68 3.5 35
  69 5.5 55
  70 7.5 75
  71 0.2 2
  72 3 30
  73 1.8 18
  74 3.8 38
  75 0.3 3
  76 2 20
  77 41 410
  78 8.5 85
  79 2.95 30
  80 19.5 195
  81 3 30
  82 2 20
  90 0.18 2
  91 2.5 25
  92 4.5 45
  93 3.5 35
  94 1 10
  95 5.5 55
  96 3 30
  97 2.5 25
  98 4.25 43
  99 2.7 27
  105 27.5 275
  106 3.8 38
  107 0.7 7
  108 41 410
  109 11 110
  110 1 10
  111 0.1 1
  112 4.5 45
  119 1 10
  120 1 10
  122 0.2 2
  123 2.5 25
  124 1.5 15
  125 2.5 25
  126 1.55 16
  127 3 30
  133 13 130
  134 2 20
  135 0.2 2
  136 2 20
  137 2 20
  140 2.5 25
  149 0.2 2
  150 1.7 17
  151 22.2 222
  152 4 40
  153 0.4 4
  154 99.99 999
  155 10.5 105
  156 2.5 25
  168 0.15 2
  169 69.5 695
  170 8.5 85
//
