ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001139
RECORD_TITLE: 7-ACETOXY-6-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$NAME: 7-ACETOXY-6-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O4
CH$EXACT_MASS: 218.05791
CH$SMILES: CC(=O)Oc(c1)c(C)cc(C=2)c(OC(=O)C2)1
CH$IUPAC: InChI=1S/C12H10O4/c1-7-5-9-3-4-12(14)16-11(9)6-10(7)15-8(2)13/h3-6H,1-2H3
CH$LINK: INCHIKEY AYHSRSLMDCLHKM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40535604
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$SPLASH: splash10-004i-4900000000-5ca6ccc237b7bb9adcce
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  18 1 10
  27 1.6 16
  28 3.6 36
  39 5.2 52
  41 1.5 15
  43 38.5 385
  50 1 10
  51 8.3 83
  52 2.1 21
  53 2.6 26
  63 2.6 26
  64 1 10
  65 8.3 83
  76 2.1 21
  77 4.2 42
  78 1 10
  79 1 10
  91 10.4 104
  119 4.7 47
  120 1.6 16
  147 9.9 99
  148 47.4 474
  149 3.2 32
  175 3.6 36
  176 99.99 999
  177 10.4 104
  218 14.1 141
  219 2.1 21
//
