ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001137
RECORD_TITLE: 7-METHOXY-4-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$NAME: 7-METHOXY-4-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10O3
CH$EXACT_MASS: 190.06299
CH$SMILES: COc(c2)cc(O1)c(c2)C(C)=CC(=O)1
CH$IUPAC: InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
CH$LINK: INCHIKEY UDFPKNSWSYBIHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70180242
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$SPLASH: splash10-0007-1900000000-b85b901e25734ab436ef
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  18 4.5 45
  28 1.8 18
  39 3.2 32
  41 3.2 32
  50 2.3 23
  51 6.3 63
  52 1.8 18
  62 2.3 23
  63 2.7 27
  64 1.8 18
  65 7.2 72
  77 6.8 68
  78 0.9 9
  80 0.9 9
  81 0.9 9
  89 3.2 32
  91 11.7 117
  92 0.9 9
  103 2.3 23
  118 0.9 9
  119 3.6 36
  131 0.9 9
  141 2.3 23
  146 1.4 14
  147 73.4 734
  148 4.1 41
  161 9 90
  162 62.2 622
  163 9 90
  190 99.99 999
  191 14 140
  192 0.9 9
//
