ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004081
RECORD_TITLE: 6,7-DIHYDROXYCOUMARIN; 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$NAME: 6,7-DIHYDROXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆O₄
CH$EXACT_MASS: 178.02661
CH$SMILES: O=C(C=2)Oc(c1)c(C2)cc(O)c(O)1
CH$IUPAC: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3075383

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$SPLASH: splash10-004i-7900000000-22e400291639a7bbb33a
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  38 4.3 43
  39 6.7 67
  40 1.9 19
  42 4.3 43
  43 1.8 18
  47 2.8 28
  49 1.7 17
  50 1.08 11
  51 14.1 141
  52 6.1 61
  53 9.6 96
  54 0.16 2
  55 1.8 18
  61 2 20
  62 2.3 23
  63 0.29 3
  64 1.3 13
  65 5.1 51
  66 7.3 73
  69 1.7 17
  70 1.8 18
  74 2.1 21
  75 10.3 103
  76 1.04 10
  77 2.4 24
  79 7.5 75
  80 4.6 46
  81 0.31 3
  89 2.2 22
  93 1.2 12
  94 7.8 78
  104 0.58 6
  105 1.1 11
  108 1.4 14
  109 1.1 11
  121 0.61 6
  122 2.9 29
  132 3.1 31
  149 2.7 27
  150 7.24 72
  151 6.7 67
  177 3.2 32
  178 99.99 999
  179 1.03 10
  180 1.3 13
//