ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001159
RECORD_TITLE: 7-ACETOXYCOUMARIN; 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$NAME: 7-ACETOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₈O₄
CH$EXACT_MASS: 204.04226
CH$SMILES: CC(=O)Oc(c1)cc(O2)c(C=CC(=O)2)c1
CH$IUPAC: InChI=1S/C11H8O4/c1-7(12)14-9-4-2-8-3-5-11(13)15-10(8)6-9/h2-6H,1H3
CH$LINK: INCHIKEY MGZOXZPZHVOXQB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00146114

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-03ec-7900000000-73b34f6a9af485acdefe
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  41 3 30
  42 3 30
  43 59 590
  44 2 20
  45 1 10
  49 1 10
  50 8 80
  51 21 210
  52 4 40
  53 3 30
  54 2 20
  55 3 30
  56 1 10
  57 3 30
  61 2 20
  62 6 60
  63 11 110
  64 3 30
  65 4 40
  66 1 10
  69 7 70
  70 1 10
  71 2 20
  74 3 30
  75 1 10
  76 3 30
  77 13 130
  78 12 120
  79 3 30
  89 4 40
  92 2 20
  93 1 10
  105 13 130
  106 5 50
  133 6 60
  134 99.99 999
  135 9 90
  136 1 10
  161 2 20
  162 91 910
  163 10 100
  164 1 10
  204 15 150
  205 4 40
  206 1 10
//