ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005641
RECORD_TITLE: 7-HYDROXY-4-METHYLBENZPYRONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 7-HYDROXY-4-METHYLBENZPYRONE
CH$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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-002b-6900000000-936015a6cd7badae842d
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  26 2.72 27
  27 9.82 98
  28 36.48 365
  29 8.64 86
  30 4.26 43
  38 3.26 33
  39 18.63 186
  40 1.98 20
  41 6.62 66
  42 3.6 36
  43 2.96 30
  50 4.22 42
  51 16.87 169
  52 2.6 26
  53 2.72 27
  63 8.41 84
  64 1.08 11
  65 12.74 127
  69 7.45 75
  70 1.04 10
  72 20.85 209
  73 1.83 18
  74 16.41 164
  77 4.98 50
  78 1.64 16
  89 1.74 17
  90 1.42 14
  91 19.82 198
  92 2.62 26
  105 1.92 19
  118 1.28 13
  119 8.86 89
  120 16.9 169
  121 1.01 10
  131 1.84 18
  147 61.04 610
  148 99.99 999
  149 8.36 84
  150 1.02 10
  161 1.11 11
  175 1.23 12
  176 96.42 964
  177 8.69 87
  178 1 10
//