ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001160
RECORD_TITLE: 4-ACETOXY-7-METHOXY-3-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$NAME: 4-ACETOXY-7-METHOXY-3-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O5
CH$EXACT_MASS: 248.06847
CH$SMILES: COc(c2)cc(O1)c(c2)C(OC(C)=O)=C(C)C(=O)1
CH$IUPAC: InChI=1S/C13H12O5/c1-7-12(17-8(2)14)10-5-4-9(16-3)6-11(10)18-13(7)15/h4-6H,1-3H3
CH$LINK: INCHIKEY LQVKPXGBCILWSQ-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0zfu-9850000000-87d1f32bafc76b197038
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  39 8 80
  40 1 10
  41 4 40
  42 5 50
  43 81 810
  44 2 20
  50 5 50
  51 13 130
  52 5 50
  53 8 80
  54 2 20
  55 7 70
  58 3 30
  62 5 50
  63 12 120
  64 4 40
  65 7 70
  66 3 30
  67 2 20
  69 7 70
  74 2 20
  75 3 30
  76 3 30
  77 8 80
  78 5 50
  79 11 110
  80 3 30
  85 9 90
  89 3 30
  90 3 30
  91 6 60
  92 3 30
  93 3 30
  94 2 20
  95 6 60
  102 2 20
  106 5 50
  107 10 100
  108 6 60
  118 2 20
  119 4 40
  120 3 30
  121 7 70
  122 11 110
  123 2 20
  133 2 20
  134 4 40
  135 3 30
  150 57 570
  151 76 760
  152 8 80
  177 9 90
  178 15 150
  179 3 30
  205 3 30
  206 99.99 999
  207 14 140
  208 3 30
  248 22 220
  249 3 30
//
