ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010135
RECORD_TITLE: 4-(2,5-DIHYDROXY-3,4,6-TRIMETHYLPHENYL)-3-OXO-2-BUTENIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 4-(2,5-DIHYDROXY-3,4,6-TRIMETHYLPHENYL)-3-OXO-2-BUTENIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14O5
CH$EXACT_MASS: 250.08412
CH$SMILES: OC(=O)C=CC(=O)c(c(C)1)c(O)c(C)c(C)c(O)1
CH$IUPAC: InChI=1S/C13H14O5/c1-6-7(2)13(18)11(8(3)12(6)17)9(14)4-5-10(15)16/h4-5,17-18H,1-3H3,(H,15,16)/b5-4-
CH$LINK: INCHIKEY HAWOBRSXOITBKM-PLNGDYQASA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0zfr-1290000000-e48b59e4d1a146efea4a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  38 2 20
  49 6 60
  53 4 40
  55 0.8 8
  67 8 80
  77 8 80
  91 9 90
  134 0.6 6
  161 8 80
  162 6 60
  175 5 50
  176 0.6 6
  189 7 70
  190 18 180
  191 27 270
  203 2.3 23
  204 42 420
  205 92 920
  206 13 130
  250 99.99 999
  251 14 140
//
