ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001133
RECORD_TITLE: UMBELLIFERONE; 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$NAME: UMBELLIFERONE
CH$NAME: 7-HYDROXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₃
CH$EXACT_MASS: 162.03169
CH$SMILES: O=C(C=2)Oc(c1)c(C2)ccc(O)1
CH$IUPAC: InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H
CH$LINK: INCHIKEY ORHBXUUXSCNDEV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5052626

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$SPLASH: splash10-03gi-9700000000-61b0cf13acd34fc7ef62
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  17 1.3 13
  18 3.8 38
  27 5.1 51
  28 9.1 91
  29 3.8 38
  31 1.3 13
  37 2.6 26
  38 14.1 141
  39 14.1 141
  41 2.6 26
  42 2.6 26
  49 2.6 26
  50 14.1 141
  51 33.3 333
  52 14.1 141
  53 6.4 64
  55 3.8 38
  61 5.1 51
  62 12.8 128
  63 20.5 205
  64 3.8 38
  65 10.3 103
  66 1.3 13
  67 25.6 256
  74 1.3 13
  77 23.1 231
  78 42.3 423
  79 1.3 13
  80 1.3 13
  87 1.3 13
  105 28.2 282
  106 7.7 77
  108 1.3 13
  133 3.8 38
  134 91 910
  135 6.4 64
  162 99.99 999
  163 6.4 64
//