ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002070
RECORD_TITLE: 6,7-DIMETHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6,7-DIMETHOXYCOUMARIN
CH$NAME: AESCULETIN DIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₄
CH$EXACT_MASS: 206.05791
CH$SMILES: COc(c1)c(OC)cc(O2)c(C=CC(=O)2)1
CH$IUPAC: InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3
CH$LINK: INCHIKEY GUAFOGOEJLSQBT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10152640

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bvu-6930000000-ced173387f2077948312
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  28 3.1 31
  51 12.5 125
  52 3.1 31
  53 0.47 5
  55 6.3 63
  59 4.7 47
  63 10.9 109
  64 0.63 6
  65 9.4 94
  69 15.6 156
  75 3.1 31
  76 0.94 9
  77 14.1 141
  78 3.1 31
  79 35.9 359
  88 0.94 9
  89 46.9 469
  92 25 250
  93 4.7 47
  103 0.47 5
  104 3.1 31
  105 12.5 125
  106 3.1 31
  107 4.06 41
  108 4.7 47
  117 6.3 63
  119 6.3 63
  120 2.19 22
  121 7.8 78
  131 3.1 31
  133 4.7 47
  134 0.31 3
  135 42.2 422
  136 4.7 47
  145 4.7 47
  146 0.16 2
  147 6.3 63
  148 7.8 78
  149 7.8 78
  150 0.31 3
  163 59.3 593
  164 7.8 78
  178 28.1 281
  179 0.31 3
  191 64.1 641
  192 7.8 78
  206 99.99 999
  207 1.88 19
  208 3.1 31
//