MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010742
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
//
system version 2.2.8-SNAPSHOT