ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005134
RECORD_TITLE: 1-ACETYL-2,4-DIHYDROXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 1-ACETYL-2,4-DIHYDROXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: CC(=O)c(c1)c(O)cc(O)c1
CH$IUPAC: InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
CH$LINK: CAS 89-84-9
CH$LINK: INCHIKEY SULYEHHGGXARJS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058998
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-0f79-2900000000-eb08d342b85b33b724f7
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  37 0.56 6
  38 1.15 12
  39 3.12 31
  41 1.15 12
  42 0.97 10
  43 7.04 70
  45 0.17 2
  46 0.12 1
  47 0.15 2
  49 0.41 4
  50 1.86 19
  51 2.91 29
  52 2.08 21
  53 3.75 38
  54 0.68 7
  55 1.54 15
  56 0.24 2
  57 0.71 7
  58 0.11 1
  60 0.17 2
  61 0.58 6
  62 2.22 22
  63 2.28 23
  64 0.48 5
  65 0.76 8
  66 0.7 7
  67 0.54 5
  68 0.98 10
  70 0.25 3
  71 0.5 5
  72 0.13 1
  73 0.2 2
  74 0.31 3
  75 0.23 2
  76 0.37 4
  77 1.51 15
  78 0.56 6
  79 0.97 10
  80 0.95 10
  81 8.61 86
  82 0.64 6
  83 0.21 2
  85 0.35 4
  87 0.22 2
  89 0.13 1
  90 0.14 1
  91 0.29 3
  92 0.31 3
  94 0.16 2
  95 0.63 6
  97 0.21 2
  104 0.19 2
  105 0.9 9
  106 0.27 3
  107 0.12 1
  108 1.75 18
  109 2.08 21
  110 0.6 6
  111 0.17 2
  121 0.22 2
  123 1.73 17
  125 0.19 2
  126 0.16 2
  129 0.12 1
  134 0.25 3
  136 0.26 3
  137 99.99 999
  138 9.49 95
  139 1.16 12
  140 0.14 1
  149 1.39 14
  152 51.1 511
  153 5.35 54
  154 0.55 6
//
