ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001134
RECORD_TITLE: 7-METHOXYCOUMARIN; 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$NAME: 7-METHOXYCOUMARIN
CH$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$INSTRUMENT: HITACHI RMU-7L
AC$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$SPLASH: splash10-005a-5900000000-a51cb4413d70fe3ecdcc
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  18 7 70
  26 1.7 17
  27 7.8 78
  29 1.6 16
  31 1 10
  32 1 10
  37 1.2 12
  38 8.7 87
  39 10.3 103
  41 1.7 17
  42 1 10
  50 11.6 116
  51 36.4 364
  52 1.7 17
  53 2.9 29
  59 1.7 17
  61 3.7 37
  62 12 120
  63 22.7 227
  64 3.3 33
  65 1.2 12
  74 2.5 25
  75 2.1 21
  76 8.3 83
  77 25.6 256
  78 1.7 17
  79 2.9 29
  86 1.7 17
  87 2.1 21
  88 2.5 25
  89 10.7 107
  90 3.3 33
  91 5.4 54
  105 11.2 112
  118 1.7 17
  119 2.5 25
  120 3.3 33
  133 97.1 971
  134 7.4 74
  145 1.2 12
  147 1.7 17
  148 93.4 934
  149 9.9 99
  176 99.99 999
  177 9.5 95
//