ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008782
RECORD_TITLE: PHENOL (2,3,4,5,6-D5); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHENOL (2,3,4,5,6-D5)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O
CH$EXACT_MASS: 94.04186
CH$SMILES: [2H]c(c([2H])1)c([2H])c([2H])c(O)c([2H])1
CH$IUPAC: InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D
CH$LINK: INCHIKEY ISWSIDIOOBJBQZ-RALIUCGRSA-N

AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-006w-9000000000-c8b41f2899ca8cc9d4bc
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  34 0.56 6
  35 1.15 12
  38 6.26 63
  39 2.03 20
  40 11.78 118
  41 10.02 100
  42 29.15 292
  43 13.57 136
  44 6.38 64
  45 0.84 8
  46 0.37 4
  48 1.15 12
  49 5.75 58
  52 8.55 86
  53 2.04 20
  54 8.96 90
  55 0.67 7
  56 1.25 13
  57 2.08 21
  58 7.87 79
  60 0.6 6
  61 0.32 3
  62 2.09 21
  64 3.32 33
  65 1.06 11
  66 5.82 58
  67 0.92 9
  68 2.79 28
  69 14.13 141
  70 18.79 188
  71 40.24 402
  72 2.68 27
  74 0.41 4
  76 1.89 19
  78 0.56 6
  80 0.54 5
  81 0.65 7
  82 1.44 14
  96 0.45 5
  98 8.91 89
  99 99.99 999
  100 6.19 62
  101 0.44 4
//