ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001142
RECORD_TITLE: 4,7-DIMETHOXY-3-METHYLCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4,7-DIMETHOXY-3-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂O₄
CH$EXACT_MASS: 220.07356
CH$SMILES: COc(c2)cc(O1)c(c2)C(OC)=C(C)C(=O)1
CH$IUPAC: InChI=1S/C12H12O4/c1-7-11(15-3)9-5-4-8(14-2)6-10(9)16-12(7)13/h4-6H,1-3H3
CH$LINK: INCHIKEY RTHGEQXOKQQJIL-UHFFFAOYSA-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$SPLASH: splash10-00di-2890000000-8d531b97bdd75c41d177
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  17 1.4 14
  18 4.1 41
  27 1.9 19
  28 1.4 14
  32 1 10
  39 3.3 33
  43 4.6 46
  51 3.7 37
  55 1.4 14
  63 4.7 47
  65 3.3 33
  75 1.4 14
  76 1.9 19
  77 2.8 28
  78 1.9 19
  79 2.3 23
  89 2.8 28
  90 2.8 28
  91 3.3 33
  92 1.4 14
  106 1.9 19
  110 1.4 14
  121 7 70
  133 2.8 28
  134 1.4 14
  135 2.4 24
  145 1.9 19
  147 3.7 37
  148 1.9 19
  149 1.4 14
  150 1.4 14
  151 10.7 107
  161 3.3 33
  162 4.2 42
  163 1.9 19
  175 2.3 23
  176 1.9 19
  177 50.5 505
  178 5.6 56
  189 1 10
  190 9.3 93
  191 14.5 145
  192 23.4 234
  193 3.3 33
  202 2.8 28
  205 21.5 215
  206 3.3 33
  219 10.7 107
  220 99.99 999
  221 18.7 187
  222 3.7 37
//