ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005738
RECORD_TITLE: 2,3-DICHLORO-1,4-NAPHTHOQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2,3-DICHLORO-1,4-NAPHTHOQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₄Cl₂O₂
CH$EXACT_MASS: 225.95883
CH$SMILES: O=c(c(Cl)1)c(c2)c(ccc2)c(=O)c(Cl)1
CH$IUPAC: InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
CH$LINK: CAS 117-80-6
CH$LINK: INCHIKEY SVPKNMBRVBMTLB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7020425

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0fbi-9410000000-5ade8aaec752af81441d
PK$NUM_PEAK: 110
PK$PEAK: m/z int. rel.int.
  17 2.04 20
  18 6.86 69
  25 1.1 11
  26 5.39 54
  27 5.68 57
  28 3.58 36
  29 3.09 31
  35 7.44 74
  36 2.01 20
  37 13.11 131
  38 16.09 161
  39 10.04 100
  40 0.65 7
  41 0.95 10
  45 4.62 46
  47 5.14 51
  48 0.98 10
  49 13.07 131
  50 99.99 999
  51 17.14 171
  52 8.87 89
  53 6.63 66
  59 8.04 80
  60 4.69 47
  61 17.34 173
  62 9.21 92
  63 10.2 102
  64 1.26 13
  65 6.26 63
  66 6.36 64
  67 0.99 10
  69 0.84 8
  71 1.81 18
  72 2.58 26
  73 17.06 171
  74 84.95 850
  75 45.54 455
  76 77.36 774
  77 12.2 122
  78 1.59 16
  79 0.85 9
  80 0.99 10
  82 0.48 5
  83 0.91 9
  84 6.4 64
  85 12.22 122
  86 7.77 78
  87 60.31 603
  88 1.6 16
  89 18.58 186
  90 0.86 9
  91 16.83 168
  92 2.61 26
  94 40.96 410
  95 1.75 18
  96 26.73 267
  97 6.87 69
  98 16.72 167
  99 46.73 467
  100 9.37 94
  101 3.96 40
  102 1.22 12
  103 1.2 12
  104 17.93 179
  105 2.24 22
  108 8.99 90
  109 15.5 155
  110 4.32 43
  111 5.45 55
  112 1.09 11
  119 0.58 6
  120 1.32 13
  121 1.65 17
  122 1.83 18
  123 3.28 33
  129 2.97 30
  131 1.29 13
  132 0.91 9
  133 2.06 21
  134 3.09 31
  135 50.55 506
  136 7.54 75
  137 17.31 173
  138 2.28 23
  139 1.58 16
  163 85.14 851
  164 9.8 98
  165 26.5 265
  166 2.89 29
  169 1.03 10
  170 2.92 29
  171 0.88 9
  172 2.37 24
  191 78.13 781
  192 9.14 91
  193 26.25 263
  194 3.12 31
  198 11.09 111
  200 6.92 69
  201 0.94 9
  202 1.36 14
  214 3.5 35
  225 1.7 17
  226 50.46 505
  227 7.27 73
  228 36.09 361
  229 4.69 47
  230 6.21 62
  231 0.84 8
  232 0.6 6
//