ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000931
RECORD_TITLE: PENTACHLOROPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: PENTACHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆HCl₅O
CH$EXACT_MASS: 263.84700
CH$SMILES: Oc(c(Cl)1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
CH$LINK: CAS 87-86-5
CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021106

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-014i-3590000000-e28db0931c3a64c5acdc
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  45 4 40
  47 9.2 92
  48 3.1 31
  49 0.43 4
  59 2.2 22
  60 27.1 271
  61 9.8 98
  63 0.29 3
  65 18.2 182
  66 7.7 77
  70 2.9 29
  71 1.1 11
  72 5.2 52
  73 9.4 94
  81 2.6 26
  84 0.58 6
  87 6.2 62
  89 3.1 31
  93 4.1 41
  95 3.81 38
  96 10.9 109
  97 11.8 118
  98 4.5 45
  100 1.33 13
  101 13 130
  102 6.5 65
  103 3.9 39
  106 0.57 6
  107 8.7 87
  108 4.3 43
  109 4.8 48
  111 0.37 4
  114 5.8 58
  115 6.3 63
  116 2.2 22
  118 0.35 4
  119 2.6 26
  120 3.3 33
  124 4.2 42
  130 2.26 23
  131 8.9 89
  132 17.1 171
  133 12.3 123
  134 0.65 7
  135 2.2 22
  141 4.9 49
  142 3.3 33
  143 0.76 8
  158 2.6 26
  165 45.5 455
  167 38.7 387
  168 0.42 4
  169 12.8 128
  171 2.2 22
  194 2.7 27
  196 0.29 3
  200 16.8 168
  201 4.8 48
  202 22.3 223
  203 0.81 8
  204 12.6 126
  205 3.7 37
  206 3.8 38
  228 1.23 12
  230 16.8 168
  232 7.8 78
  234 2.2 22
  237 0.43 4
  253 2.8 28
  264 72 720
  265 6.2 62
  266 99.99 999
  267 9.2 92
  268 73.8 738
  269 5.2 52
  270 2.58 26
  272 3.2 32
//