ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001140
RECORD_TITLE: 7-METHOXY-6-METHYLCOUMARIN; 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$NAME: 7-METHOXY-6-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₀O₃
CH$EXACT_MASS: 190.06299
CH$SMILES: COc(c1)c(C)cc(C=2)c(OC(=O)C2)1
CH$IUPAC: InChI=1S/C11H10O3/c1-7-5-8-3-4-11(12)14-10(8)6-9(7)13-2/h3-6H,1-2H3
CH$LINK: INCHIKEY XROAZTOPXRDRAO-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$SPLASH: splash10-01oy-8900000000-ca2e5b9ca6816091d2db
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  15 5 50
  17 1.7 17
  18 14.4 144
  27 6.1 61
  28 8.8 88
  29 5.6 56
  31 1.1 11
  32 1.1 11
  38 3.3 33
  39 16.6 166
  40 1.1 11
  41 14.4 144
  43 6.1 61
  44 1.2 12
  50 13.3 133
  51 32 320
  52 8.3 83
  53 5.5 55
  55 5.5 55
  57 3.9 39
  62 7.2 72
  63 10.5 105
  64 2.8 28
  65 22.1 221
  66 1.1 11
  67 5.5 55
  68 1.1 11
  69 7.2 72
  70 1.1 11
  74 6.1 61
  75 3.9 39
  76 7.2 72
  77 21 210
  78 4.4 44
  79 3.3 33
  81 1.7 17
  82 1.1 11
  86 1.1 11
  87 1.7 17
  89 8.8 88
  90 7.2 72
  91 30.4 304
  92 2.8 28
  93 1.1 11
  101 1.1 11
  102 5.5 55
  103 7.2 72
  104 2.2 22
  105 1.7 17
  118 2.2 22
  119 9.9 99
  131 8.3 83
  132 1.1 11
  133 1.7 17
  134 1.1 11
  146 1.1 11
  147 96.1 961
  148 11.1 111
  159 1.7 17
  162 99.99 999
  163 8.8 88
  175 5.5 55
  189 1.1 11
  190 70.7 707
  191 7.7 77
  192 0.6 6
//