ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004082
RECORD_TITLE: 6-HYDROXY-7-METHOXYCOUMARIN; 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$NAME: 6-HYDROXY-7-METHOXYCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₄
CH$EXACT_MASS: 192.04226
CH$SMILES: COc(c1)c(O)cc(C=2)c(OC(=O)C2)1
CH$IUPAC: InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
CH$LINK: INCHIKEY SYTYLPHCLSSCOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40228266

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$SPLASH: splash10-0007-4900000000-368d336ba855c6336983
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  28 3.2 32
  38 2.3 23
  39 7.1 71
  41 1.3 13
  42 1.8 18
  50 7.7 77
  51 18.1 181
  52 0.31 3
  53 10.7 107
  54 1.2 12
  55 1.8 18
  57 0.12 1
  62 1.6 16
  63 3.2 32
  64 1.9 19
  65 0.84 8
  66 1.5 15
  69 27.2 272
  70 1.3 13
  74 0.15 2
  75 1.7 17
  76 2.4 24
  77 3.3 33
  78 0.12 1
  79 15.3 153
  80 1.8 18
  81 2.7 27
  92 0.26 3
  93 1.9 19
  96 2.7 27
  105 2.6 26
  107 0.24 2
  120 1.6 16
  121 15.4 154
  122 1.1 11
  135 0.17 2
  149 56.7 567
  150 5.6 56
  164 36.5 365
  165 0.35 4
  177 11.8 118
  178 1.7 17
  191 1.7 17
  192 99.99 999
  193 10.9 109
  194 1.4 14
//