ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001136
RECORD_TITLE: 7-ACETOXY-4-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$NAME: 7-ACETOXY-4-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₄
CH$EXACT_MASS: 218.05791
CH$SMILES: CC(=O)Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1
CH$IUPAC: InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
CH$LINK: INCHIKEY HXVZGASCDAGAPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70181895

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$SPLASH: splash10-004j-2900000000-f75610fc78ca3d32dd79
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 2.9 29
  28 2.9 29
  32 1 10
  39 4 40
  42 1 10
  43 18.3 183
  50 2 20
  51 2.4 24
  52 1.5 15
  53 1.5 15
  63 1.5 15
  65 6.4 64
  76 1.5 15
  77 2.4 24
  89 1.5 15
  91 8.9 89
  103 1 10
  105 1 10
  119 3.5 35
  120 3 30
  147 14.6 146
  148 70.8 708
  149 7.9 79
  175 1 10
  176 99.99 999
  177 11.9 119
  178 1 10
  218 18.3 183
  219 2.5 25
//