ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005266
RECORD_TITLE: 7-ACETYL-4-UMBELLIFERONE; 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$NAME: 7-ACETYL-4-UMBELLIFERONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O4
CH$EXACT_MASS: 218.05791
CH$SMILES: CC(=O)c(c(O)2)c(O1)c(cc2)C(C)=CC(=O)1
CH$IUPAC: InChI=1S/C12H10O4/c1-6-5-10(15)16-12-8(6)3-4-9(14)11(12)7(2)13/h3-5,14H,1-2H3
CH$LINK: INCHIKEY WZOMQVFUPMLOGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30180243
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0005-6900000000-083c370bf86000d6e2fe
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  41 14.2 142
  43 55.6 556
  63 4.1 41
  65 1.16 12
  77 4.6 46
  79 1.8 18
  91 16.4 164
  119 0.66 7
  120 4.6 46
  147 22.5 225
  148 99.99 999
  176 8.51 85
  177 5.3 53
  218 12.6 126
//
