ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003130
RECORD_TITLE: 3,4,7-TRIMETHOXYCOUMARIN; 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$NAME: 3,4,7-TRIMETHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12O5
CH$EXACT_MASS: 236.06847
CH$SMILES: COc(c2)cc(O1)c(c2)C(OC)=C(OC)C(=O)1
CH$IUPAC: InChI=1S/C12H12O5/c1-14-7-4-5-8-9(6-7)17-12(13)11(16-3)10(8)15-2/h4-6H,1-3H3
CH$LINK: INCHIKEY AYMSWLVOSROJFX-UHFFFAOYSA-N
AC$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: splash10-000f-2960000000-50bec6607a443a8d1bcb
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  41 3 30
  43 2 20
  50 2 20
  51 6 60
  63 10 100
  74 2 20
  75 2 20
  77 6 60
  79 7 70
  92 4 40
  94 2 20
  106 3 30
  107 12 120
  122 13 130
  134 3 30
  135 5 50
  149 4 40
  150 15 150
  151 2 20
  165 10 100
  176 2 20
  177 2 20
  193 99.99 999
  194 10 100
  207 2 20
  221 22 220
  222 3 30
  236 87 870
  237 8 80
//
