MassBank Record: MSBNK-Waters-WA000210
ACCESSION: MSBNK-Waters-WA000210
RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Dichlorprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H8Cl2O3
CH$EXACT_MASS: 233.98505
CH$SMILES: OC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c1
CH$IUPAC: InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
CH$LINK: CAS
120-36-5
CH$LINK: INCHIKEY
MZHCENGPTKEIGP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020440
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 232.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03k9-0910000000-ae39a785b796cc8c152e
PK$NUM_PEAK: 75
PK$PEAK: m/z int. rel.int.
101 16 16
103 16 16
105 8 8
106 16 16
108 8 8
110 16 16
112 16 16
115 16 16
117 16 16
119 16 16
121 16 16
123 8 8
124 811 811
126 8 8
127 24 24
129 20 20
131 8 8
132 20 20
135 12 12
137 8 8
138 20 20
140 12 12
142 8 8
143 16 16
146 12 12
148 20 20
150 20 20
152 16 16
155 24 24
157 16 16
159 12 12
161 999 999
163 16 16
165 16 16
167 16 16
169 12 12
171 20 20
174 16 16
175 12 12
177 12 12
180 16 16
182 12 12
184 12 12
185 12 12
187 24 24
189 8 8
190 20 20
192 8 8
193 24 24
196 20 20
198 24 24
200 12 12
202 16 16
203 20 20
206 20 20
208 8 8
210 27 27
211 12 12
213 16 16
215 20 20
218 20 20
220 16 16
222 16 16
225 16 16
228 16 16
229 20 20
231 12 12
234 16 16
237 16 16
239 20 20
241 16 16
243 12 12
245 20 20
247 20 20
249 12 12
//