ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009569
RECORD_TITLE: 2,4-DINITROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: 2,4-DINITROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₄N₂O₅
CH$EXACT_MASS: 184.01202
CH$SMILES: [O-1][N+1](=O)c(c1)cc([N+1]([O-1])=O)c(O)c1
CH$IUPAC: InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H
CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020523

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0gz9-9200000000-e0169c5ed661f777992d
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  25 1.15 12
  26 7.09 71
  27 3.86 39
  28 92.99 930
  29 7.16 72
  30 61.83 618
  31 2.99 30
  32 26.97 270
  37 12.48 125
  38 27.46 275
  39 18.65 187
  40 2.07 21
  41 1.08 11
  42 3.54 35
  43 1.07 11
  44 3.39 34
  45 2.28 23
  46 3.45 35
  49 3.16 32
  50 16.58 166
  51 34.93 349
  52 24.31 243
  53 71.78 718
  54 6.66 67
  55 4.71 47
  60 1.23 12
  61 13.95 140
  62 42.71 427
  63 85.26 853
  64 32.98 330
  65 7.5 75
  66 5.94 59
  67 2.93 29
  68 5.67 57
  69 5.17 52
  70 1.51 15
  73 1.37 14
  74 4.55 46
  75 3.9 39
  76 4.55 46
  77 5.4 54
  78 1.43 14
  79 41.42 414
  80 9.25 93
  81 1.13 11
  82 1.03 10
  90 2.43 24
  91 59.12 591
  92 33.98 340
  93 20.95 210
  94 1.67 17
  96 2.14 21
  104 1.32 13
  105 1.14 11
  107 46.86 469
  108 8.18 82
  109 1.16 12
  119 1.01 10
  120 1.77 18
  121 1.72 17
  126 2.12 21
  138 3.65 37
  151 1.54 15
  154 40.86 409
  155 3.1 31
  167 1.02 10
  168 4.39 44
  184 99.99 999
  185 8.95 90
  186 1.66 17
//