ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009530
RECORD_TITLE: 5,8-DICHLORO-4-CHLOMANONE-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 5,8-DICHLORO-4-CHLOMANONE-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₆Cl₂O₃
CH$EXACT_MASS: 231.96940
CH$SMILES: OC(C2)Oc(c(Cl)1)c(C(=O)2)c(Cl)cc1
CH$IUPAC: InChI=1S/C9H6Cl2O3/c10-4-1-2-5(11)9-8(4)6(12)3-7(13)14-9/h1-2,7,13H,3H2
CH$LINK: INCHIKEY OBIVNYOBLULRFU-UHFFFAOYSA-N

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$SPLASH: splash10-000e-4910000000-86669a1aad1f85daf461
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  15 6.83 68
  26 2.02 20
  27 1.88 19
  29 10.09 101
  37 4.24 42
  38 2.96 30
  39 2.06 21
  41 0.97 10
  42 5.99 60
  43 24.98 250
  44 2.02 20
  47 0.93 9
  49 1.98 20
  50 4.17 42
  51 5.25 53
  52 0.91 9
  53 7.04 70
  60 1.97 20
  61 10.11 101
  62 15.17 152
  63 13.32 133
  64 1 10
  65 1.4 14
  66 1.22 12
  69 4.29 43
  70 2.13 21
  71 18.11 181
  72 2.6 26
  73 11.6 116
  74 6.5 65
  75 7.6 76
  76 1.33 13
  77 4.42 44
  83 1.09 11
  84 1.95 20
  85 2.52 25
  86 2 20
  87 4.07 41
  88 0.92 9
  89 1.17 12
  90 4.26 43
  91 1.39 14
  96 2.53 25
  97 17.92 179
  98 3.29 33
  99 7.6 76
  100 1.18 12
  101 0.98 10
  105 1.08 11
  107 1.56 16
  108 1.05 11
  109 2.86 29
  110 0.9 9
  111 4.51 45
  112 1.38 14
  113 1.6 16
  123 7.41 74
  124 1.07 11
  125 11.77 118
  126 2.84 28
  127 3.58 36
  128 1.36 14
  132 3.31 33
  133 10.01 100
  134 2.75 28
  135 6.22 62
  137 1.09 11
  153 6.17 62
  154 1 10
  155 2.94 29
  157 1 10
  160 14.52 145
  161 2.7 27
  162 12.66 127
  163 2.65 27
  164 4 40
  165 1.01 10
  175 1.49 15
  186 5.1 51
  188 43.86 439
  189 64.11 641
  190 30.5 305
  191 41.17 412
  192 7.23 72
  193 6.47 65
  197 99.99 999
  198 10.37 104
  199 32.32 323
  200 3.31 33
  204 7.43 74
  205 0.92 9
  206 4.76 48
  214 9.27 93
  215 4.48 45
  216 6.42 64
  217 2.84 28
  218 1.21 12
  231 1 10
  232 10.74 107
  233 2.26 23
  234 7.21 72
  235 1.17 12
  236 1.21 12
//