ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007406
RECORD_TITLE: COUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: COUMARIN
CH$NAME: 2H-1-BENZOPYRAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₂
CH$EXACT_MASS: 146.03678
CH$SMILES: O=C(C=1)Oc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
CH$LINK: CAS 91-64-5
CH$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020348

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014i-7900000000-25bab36f91f71ac65817
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  39 7.7 77
  45 4 40
  50 3.6 36
  51 0.59 6
  62 8.3 83
  63 28.9 289
  64 8.7 87
  89 3.25 33
  90 35.4 354
  118 99.99 999
  119 7.1 71
  146 7.28 73
  147 5.9 59
//