ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004097
RECORD_TITLE: 7-METHOXYCOUMARIN; 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$NAME: 7-METHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₃
CH$EXACT_MASS: 176.04734
CH$SMILES: COc(c1)cc(O2)c(C=CC(=O)2)c1
CH$IUPAC: InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
CH$LINK: INCHIKEY LIIALPBMIOVAHH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060196

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-004i-2900000000-5b9073b915d724268702
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  38 2.6 26
  39 3 30
  44.5 1.9 19
  50 4.8 48
  51 13.7 137
  53 1.5 15
  62 4.2 42
  63 0.9 9
  64 1.7 17
  69 4 40
  74 3.7 37
  76 0.28 3
  77 14.8 148
  79 1.6 16
  88 1.5 15
  89 0.52 5
  90 2.6 26
  91 2.9 29
  105 7.7 77
  120 0.22 2
  133 57.4 574
  134 5.1 51
  148 53.2 532
  149 0.57 6
  176 99.99 999
  177 11.3 113
  178 1.3 13
//