ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001132
RECORD_TITLE: COUMARIN; 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$NAME: COUMARIN
CH$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$LINK: INCHIKEY ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020348

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$SPLASH: splash10-00kb-8900000000-89e86d11a0dc2841af42
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  17 2.3 23
  18 8.1 81
  26 1.7 17
  27 4.7 47
  31 2.3 23
  32 1.2 12
  37 2.3 23
  38 9.3 93
  39 14.5 145
  49 1.2 12
  50 7 70
  51 8.1 81
  53 1.2 12
  59 7 70
  61 4.1 41
  62 10.5 105
  63 26.7 267
  64 8.1 81
  74 1.2 12
  75 2.3 23
  76 1.2 12
  86 1.7 17
  87 1.7 17
  89 27.3 273
  90 37.8 378
  91 2.9 29
  92 2.3 23
  118 88.9 889
  119 6.4 64
  146 99.99 999
  147 11.1 111
//