ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006344
RECORD_TITLE: 2,3,4-TRIHYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 2,3,4-TRIHYDROXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O4
CH$EXACT_MASS: 168.04226
CH$SMILES: CC(=O)c(c1)c(O)c(O)c(O)c1
CH$IUPAC: InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3
CH$LINK: INCHIKEY XIROXSOOOAZHLL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060179
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$SPLASH: splash10-0udi-3900000000-8961e8b0df80eb14cfea
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  40 1.2 12
  41 4.5 45
  42 1 10
  43 1.04 10
  51 6.2 62
  52 3.5 35
  53 5.5 55
  55 0.3 3
  62 1.5 15
  63 3.5 35
  64 1 10
  65 0.43 4
  66 3.8 38
  67 2.7 27
  68 4 40
  69 0.1 1
  70 1 10
  78 2.5 25
  79 11.5 115
  81 0.1 1
  83 1 10
  93 5 50
  94 1.1 11
  95 0.11 1
  97 1.5 15
  106 2.5 25
  107 6 60
  108 0.1 1
  109 1 10
  121 2.2 22
  122 1 10
  123 0.1 1
  124 1.2 12
  125 4.5 45
  135 1.5 15
  148 0.1 1
  149 5.2 52
  153 99.99 999
  154 8.5 85
  168 5.1 51
  169 5.5 55
//
