ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001141
RECORD_TITLE: 4-HYDROXY-7-METHOXY-3-METHYLCOUMARINE; 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$NAME: 4-HYDROXY-7-METHOXY-3-METHYLCOUMARINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₄
CH$EXACT_MASS: 206.05791
CH$SMILES: COc(c2)cc(O1)c(c2)C(O)=C(C)C(=O)1
CH$IUPAC: InChI=1S/C11H10O4/c1-6-10(12)8-4-3-7(14-2)5-9(8)15-11(6)13/h3-5,12H,1-2H3
CH$LINK: INCHIKEY UOJHKPDAGSUGJI-UHFFFAOYSA-N

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$SPLASH: splash10-0zfr-2940000000-dcc37abe3b0441123e25
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  18 1.1 11
  27 4.2 42
  28 2.8 28
  29 1.1 11
  32 1.7 17
  39 5.6 56
  41 1.7 17
  43 2.2 22
  50 2.8 28
  51 3.9 39
  52 2.2 22
  53 2.2 22
  55 2.8 28
  62 2.2 22
  63 5.6 56
  64 2.2 22
  65 2.2 22
  77 2.8 28
  79 5.6 56
  90 1.2 12
  91 2.2 22
  92 1.1 11
  95 2.2 22
  106 2.2 22
  108 3.9 39
  120 1.1 11
  122 10.6 106
  123 1.7 17
  134 2.2 22
  135 2.2 22
  150 78.2 782
  151 97.2 972
  152 7.8 78
  163 6.1 61
  177 3.9 39
  178 10.6 106
  179 1.1 11
  206 99.99 999
  207 11.2 112
  208 0.6 6
//