ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009862
RECORD_TITLE: 6-HYDROXY-5,7,8-TRIMETHYL-3,4-DIHYDROCOUMARIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 6-HYDROXY-5,7,8-TRIMETHYL-3,4-DIHYDROCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄O₃
CH$EXACT_MASS: 206.09429
CH$SMILES: O=C(C2)Oc(c(C)1)c(C2)c(C)c(O)c(C)1
CH$IUPAC: InChI=1S/C12H14O3/c1-6-7(2)12-9(8(3)11(6)14)4-5-10(13)15-12/h14H,4-5H2,1-3H3
CH$LINK: INCHIKEY IWIXYZQOIASOQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80304957

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0bt9-3940000000-7affddfa5eee5042639b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 5 50
  28 2.8 28
  39 7.8 78
  41 0.63 6
  43 6.1 61
  51 4.7 47
  53 7.7 77
  55 0.47 5
  65 4.7 47
  67 5.2 52
  77 6.4 64
  79 0.44 4
  89 5.9 59
  91 10.5 105
  121 18.4 184
  135 1.17 12
  136 22.5 225
  149 3.8 38
  163 7.5 75
  164 99.99 999
  165 14.4 144
  177 7.7 77
  178 26.9 269
  179 0.45 5
  206 94.5 945
  207 15.6 156
//