ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000669
RECORD_TITLE: 2,3,6,TRIHYDROXY-4-METHYLACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3,6,TRIHYDROXY-4-METHYLACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O4
CH$EXACT_MASS: 182.05791
CH$SMILES: CC(=O)c(c(O)1)c(O)c(O)c(C)c1
CH$IUPAC: InChI=1S/C9H10O4/c1-4-3-6(11)7(5(2)10)9(13)8(4)12/h3,11-13H,1-2H3
CH$LINK: INCHIKEY KYXHSGUXHJTBLS-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-4900000000-e9b271f2e73d11ea67db
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 9.2 92
  41 5.4 54
  43 20.2 202
  51 0.27 3
  53 4.1 41
  55 2.9 29
  65 4.2 42
  67 0.48 5
  69 5 50
  77 5.2 52
  79 5.9 59
  81 0.33 3
  91 5.1 51
  109 8.3 83
  137 3.3 33
  149 0.62 6
  162 3.9 39
  165 99.99 999
  166 12.5 125
  180 6.73 67
  181 10.1 101
//
