ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003532
RECORD_TITLE: 6,7-DIMETHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6,7-DIMETHOXYCOUMARIN
CH$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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0a4i-7980000000-bac19c33733285c01d2e
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 3.5 35
  38 3 30
  39 2.1 21
  43 1.4 14
  50 6 60
  51 12 120
  52 1.4 14
  53 0.42 4
  55 3 30
  57 1.6 16
  59 3.2 32
  62 0.22 2
  63 5.2 52
  64 3.1 31
  65 2.3 23
  66 0.17 2
  69 13.4 134
  74 2.1 21
  75 2 20
  76 0.43 4
  77 5.5 55
  79 14.9 149
  89 4 40
  91 0.19 2
  92 7.7 77
  95 1.5 15
  103 2.7 27
  105 0.27 3
  107 14.2 142
  108 1.3 13
  117 2.5 25
  119 0.26 3
  120 7.6 76
  121 2 20
  133 2.2 22
  135 1.58 16
  136 1.4 14
  145 3.7 37
  148 3.9 39
  149 0.39 4
  162 1.1 11
  163 27.2 272
  164 2.6 26
  178 1.53 15
  179 1.5 15
  190 1.6 16
  191 45.7 457
  192 0.59 6
  206 99.99 999
  207 13.3 133
  208 1.6 16
//