ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000538
RECORD_TITLE: 2,5-DIHYDROXY-4-METHOXYACETOPHENONE; 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$NAME: 2,5-DIHYDROXY-4-METHOXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O4
CH$EXACT_MASS: 182.05791
CH$SMILES: COc(c1)c(O)cc(C(C)=O)c(O)1
CH$IUPAC: InChI=1S/C9H10O4/c1-5(10)6-3-8(12)9(13-2)4-7(6)11/h3-4,11-12H,1-2H3
CH$LINK: COMPTOX DTXSID10501972
CH$LINK: INCHIKEY TXBDGLVJCSOBLF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12543919
AC$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: splash10-0159-0900000000-1e3c9ae855f6148d2b1d
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  43 2.86 29
  78 8.14 81
  79 1.96 20
  83 1.02 10
  96 2.71 27
  97 1.37 14
  107 1.96 20
  111 7.74 77
  124 1.95 20
  139 1.31 13
  149 1.71 17
  152 2.92 29
  164 2.59 26
  167 99.99 999
  168 9.03 90
  169 1.2 12
  181 1.13 11
  182 78.57 786
  183 8.25 83
//
