ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011911
RECORD_TITLE: 2',5'-DIHYDROXYACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2',5'-DIHYDROXYACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₃
CH$EXACT_MASS: 152.04734
CH$SMILES: CC(=O)c(c1)c(O)ccc(O)1
CH$IUPAC: InChI=1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
CH$LINK: CAS 490-78-8
CH$LINK: NIKKAJI J6.045C
CH$LINK: INCHIKEY WLDWSGZHNBANIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060077

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0f79-5900000000-e57c3609fe3f8770c9bb
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 2.46 25
  18 1.64 16
  26 2.77 28
  27 6.4 64
  28 1.02 10
  29 2.93 29
  37 1.02 10
  38 1.99 20
  39 5.88 59
  41 1.6 16
  42 1.94 19
  43 18.29 183
  50 3.84 38
  51 7.21 72
  52 7.7 77
  53 15.13 151
  54 4.03 40
  55 5.66 57
  61 1.11 11
  62 2.17 22
  63 4.05 41
  65 1.21 12
  66 1.1 11
  67 1.5 15
  69 6.53 65
  77 3.87 39
  78 3.21 32
  79 1.67 17
  80 1.73 17
  81 21.41 214
  82 2.66 27
  95 1.26 13
  105 2.22 22
  106 1.55 16
  108 2.7 27
  109 17.42 174
  110 3.24 32
  123 1.04 10
  133 1.08 11
  134 4.46 45
  136 1.09 11
  137 99.99 999
  138 7.97 80
  151 1.3 13
  152 68.66 687
  153 6.27 63
//