ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005745
RECORD_TITLE: 7-ETHOXYCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 7-ETHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₃
CH$EXACT_MASS: 190.06299
CH$SMILES: CCOc(c1)cc(O2)c(C=CC(=O)2)c1
CH$IUPAC: InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3
CH$LINK: CAS 31005-02-4
CH$LINK: INCHIKEY LIFAQMGORKPVDH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30184983

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-001l-6900000000-de98e10650cac36f40c5
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  14 0.5 5
  15 0.83 8
  17 0.98 10
  18 4.29 43
  26 2.71 27
  27 12.05 121
  28 4.82 48
  29 12.5 125
  37 0.75 8
  38 2.86 29
  39 5.57 56
  41 0.9 9
  42 0.45 5
  43 1.51 15
  44.5 0.9 9
  50 4.89 49
  51 15.13 151
  52 3.31 33
  53 1.66 17
  55 0.98 10
  61 1.2 12
  62 4.97 50
  63 11.3 113
  64 2.56 26
  65 2.48 25
  66 0.83 8
  69 5.2 52
  74 1.36 14
  75 1.05 11
  76 2.26 23
  77 11.37 114
  78 11.75 118
  79 2.56 26
  86 0.75 8
  87 0.83 8
  88 0.68 7
  89 6.78 68
  90 0.9 9
  91 0.68 7
  92 0.83 8
  105 11.14 111
  106 3.09 31
  133 4.52 45
  134 99.99 999
  135 7.68 77
  136 0.68 7
  161 1.23 12
  162 22.36 224
  163 2.26 23
  190 50 500
  191 6.33 63
  192 0.65 7
//