ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008614
RECORD_TITLE: 3,4-DIMETHOXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 3,4-DIMETHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: COc(c1)c(OC)cc(C(C)=O)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3
CH$LINK: INCHIKEY IQZLUWLMQNGTIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061549

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-014i-6900000000-fab3be00362e31d8eccf
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  14 1.23 12
  15 7.95 80
  29 1.26 13
  38 1.26 13
  39 3.32 33
  41 1.5 15
  43 24.03 240
  50 5.23 52
  51 14.05 141
  52 2.05 21
  53 3.86 39
  62 2.07 21
  63 6.27 63
  64 1.97 20
  65 3.75 38
  66 4.56 46
  74 1.21 12
  75 1.5 15
  76 4.4 44
  77 15.28 153
  78 2.2 22
  79 16.82 168
  80 1.38 14
  91 2.93 29
  92 6.17 62
  94 6.54 65
  95 1.2 12
  105 1.37 14
  107 5.85 59
  109 4.5 45
  119 3.45 35
  120 1.71 17
  121 1.72 17
  122 8.07 81
  137 10.27 103
  165 99.99 999
  166 9.2 92
  167 1.01 10
  180 49.18 492
  181 4.88 49
//