ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006343
RECORD_TITLE: 2-HYDROXY-4,6-DIMETHOXYACETOPHENONE; 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$NAME: 2-HYDROXY-4,6-DIMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄
CH$EXACT_MASS: 196.07356
CH$SMILES: COc(c1)cc(OC)c(C(C)=O)c(O)1
CH$IUPAC: InChI=1S/C10H12O4/c1-6(11)10-8(12)4-7(13-2)5-9(10)14-3/h4-5,12H,1-3H3
CH$LINK: INCHIKEY FBUBVLUPUDBFME-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10237981

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$SPLASH: splash10-001i-2900000000-7f4577d7995fbddd577f
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  40 1.5 15
  41 2.8 28
  42 1.2 12
  43 0.95 10
  50 2.5 25
  51 4.5 45
  52 2.5 25
  53 0.55 6
  54 2.5 25
  55 3.2 32
  59 2.5 25
  61 0.15 2
  62 2.5 25
  63 3 30
  64 2.2 22
  65 0.35 4
  66 3.2 32
  67 2.7 27
  68 1.5 15
  69 0.7 7
  77 3 30
  79 3 30
  80 2 20
  81 0.27 3
  82 1.2 12
  83 1.2 12
  84 2.1 21
  91 0.2 2
  92 1 10
  93 1 10
  94 1.2 12
  95 0.63 6
  108 1.5 15
  109 2.5 25
  110 3 30
  111 0.25 3
  119 1 10
  121 1.8 18
  122 1.8 18
  123 0.37 4
  124 1.8 18
  125 2.8 28
  135 1.5 15
  136 0.1 1
  137 8 80
  138 5.5 55
  139 1.1 11
  149 0.1 1
  151 2.7 27
  152 1 10
  153 1.5 15
  163 0.18 2
  165 1.5 15
  166 5.5 55
  167 2 20
  177 0.19 2
  178 2.8 28
  179 1.7 17
  181 99.99 999
  182 0.9 9
  195 1 10
  196 30.5 305
  197 4.2 42
//