ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004089
RECORD_TITLE: 7-HYDROXYCOUMARIN; 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$NAME: 7-HYDROXYCOUMARIN
CH$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$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-03di-6900000000-dedc215fac13e97ee769
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 1.6 16
  37 1.5 15
  38 4.5 45
  38.5 1.3 13
  39 8.1 81
  43 1.8 18
  50 5.7 57
  51 1.43 14
  52 5.2 52
  52.5 1.6 16
  53 5 50
  55 0.17 2
  61 2.3 23
  62 5.1 51
  63 8.6 86
  64 0.29 3
  65 4.4 44
  67 10.2 102
  69 7 70
  74 0.14 1
  76 1.7 17
  77 13.2 132
  78 21.7 217
  79 0.28 3
  105 18.6 186
  106 8 80
  133 2.6 26
  134 8.59 86
  135 7.1 71
  161 1 10
  162 99.99 999
  163 1.23 12
  164 1.3 13
//