ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010742
RECORD_TITLE: TRI CHLORFON; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: TRI CHLORFON
CH$NAME: O,O-DIMETHYL 2,2,2-TRICHLORO-1-HYDROXYETHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈Cl₃O₄P
CH$EXACT_MASS: 255.92258
CH$SMILES: COP(=O)(OC)C(O)C(Cl)(Cl)Cl
CH$IUPAC: InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
CH$LINK: INCHIKEY NFACJZMKEDPNKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021389

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bvi-6900000000-bc340a4a5dc69af91e1c
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 7.46 75
  29 8.97 90
  31 12.19 122
  32 3.98 40
  33 2.7 27
  36 9.56 96
  38 2.9 29
  47 10.86 109
  48 7.47 75
  49 2.84 28
  50 4.83 48
  55 1.14 11
  63 2.8 28
  65 1.17 12
  76 3.61 36
  77 4.22 42
  78 7.07 71
  79 61.67 617
  80 16.96 170
  82 20.74 207
  83 9.48 95
  84 13.1 131
  85 5.71 57
  86 2.07 21
  93 32.18 322
  94 1.14 11
  95 15 150
  96 1.46 15
  97 2.36 24
  109 99.99 999
  110 52.78 528
  111 13.59 136
  112 24.08 241
  113 12.01 120
  114 15.99 160
  115 3.01 30
  116 3.06 31
  117 1.9 19
  118 2.71 27
  119 2.09 21
  120 2.49 25
  127 2.57 26
  130 2.53 25
  132 2.27 23
  139 33.33 333
  140 1.15 12
  145 43.77 438
  146 1.66 17
  147 14.39 144
  148 1.1 11
  169 3.85 39
  171 1.21 12
  185 9.22 92
  186 1.12 11
  187 3.13 31
  192 1.9 19
  194 1.24 12
  221 7.73 77
  223 5.06 51
  256 0.14 1
//