ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001135
RECORD_TITLE: 7-HYDROXY-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$NAME: 7-HYDROXY-4-METHYLCOUMARIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₃
CH$EXACT_MASS: 176.04734
CH$SMILES: Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1
CH$IUPAC: InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025670

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$SPLASH: splash10-002b-3900000000-9efd3962e332f4fe7d26
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  17 2.2 22
  18 9.4 94
  26 1.3 13
  27 3.5 35
  32 1.3 13
  39 9 90
  41 1.7 17
  43 2.2 22
  50 4.3 43
  51 8.6 86
  52 3 30
  53 2.6 26
  55 1.7 17
  61 1.3 13
  62 2.6 26
  63 6 60
  64 1.3 13
  65 8.6 86
  66 1 10
  67 1 10
  75 3 30
  77 4.3 43
  78 2.2 22
  79 2.2 22
  89 1.7 17
  90 1.3 13
  91 12 120
  92 1 10
  94 1.3 13
  102 1 10
  105 1.3 13
  118 1 10
  119 5.6 56
  120 9.4 94
  131 1.3 13
  147 44.6 446
  148 72.5 725
  149 8.6 86
  176 99.99 999
  177 11.2 112
  178 0.8 8
//