MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007527
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007527
RECORD_TITLE: 2,3,4,5-TETRACHLOROPHENYL ACETATE; 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$NAME: 2,3,4,5-TETRACHLOROPHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H4Cl4O2
CH$EXACT_MASS: 271.89654
CH$SMILES: CC(=O)Oc(c1)c(Cl)c(Cl)c(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C8H4Cl4O2/c1-3(13)14-5-2-4(9)6(10)8(12)7(5)11/h2H,1H3
CH$LINK: INCHIKEY
QHRJCQOAJGBWRV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80964151
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$SPLASH: splash10-001l-7290000000-491c7690195523480b73
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
35 1.5 15
37 1.8 18
41 1.4 14
42 0.5 5
43 99.99 999
44 3.5 35
47 2 20
49 0.15 2
60 5 50
61 10.7 107
62 1.5 15
71 0.25 3
72 2.1 21
73 2 20
83 2.6 26
84 0.18 2
85 1.5 15
87 1.4 14
95 3.4 34
96 1.2 12
97 3.1 31
98 4.3 43
106 1.8 18
107 0.48 5
108 3.7 37
109 2.8 28
117 1.5 15
119 0.14 1
130 2 20
131 18.1 181
132 1.8 18
133 1 10
135 1.8 18
141 2.9 29
143 3.9 39
145 0.15 2
166 2.5 25
167 2.9 29
168 2.9 29
169 0.17 2
194 3.4 34
196 2.1 21
198 2.8 28
201 0.62 6
203 9.8 98
205 4.2 42
230 49.6 496
231 0.39 4
232 68.8 688
233 3.2 32
234 23.7 237
235 0.14 1
236 7.3 73
266 1.5 15
268 1.2 12
272 0.81 8
274 6.5 65
275 1.8 18
276 6.5 65
//