MassBank Record: MSBNK-Waters-WA000273
ACCESSION: MSBNK-Waters-WA000273
RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:40 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$NAME: Mecoprop
CH$NAME: MCPP-P
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11ClO3
CH$EXACT_MASS: 214.03967
CH$SMILES: OC(=O)C(C)Oc(c1)c(C)cc(Cl)c1
CH$IUPAC: InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)
CH$LINK: CAS
7085-19-0
CH$LINK: INCHIKEY
WNTGYJSOUMFZEP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9024194
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 212.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-2940000000-ccc5fb85d1bfed4505d7
PK$NUM_PEAK: 145
PK$PEAK: m/z int. rel.int.
51 35 35
53 35 35
55 51 51
56 8 8
57 35 35
59 39 39
61 12 12
62 35 35
64 31 31
66 51 51
68 59 59
69 8 8
70 43 43
72 8 8
73 47 47
75 51 51
77 157 157
79 27 27
81 47 47
82 16 16
84 51 51
85 8 8
87 51 51
89 55 55
90 35 35
92 31 31
94 27 27
95 12 12
97 55 55
100 31 31
102 39 39
103 12 12
105 451 451
107 47 47
109 27 27
111 31 31
112 8 8
114 43 43
116 67 67
117 16 16
118 39 39
120 47 47
121 12 12
123 43 43
125 43 43
127 47 47
129 8 8
130 35 35
132 12 12
133 51 51
135 31 31
137 35 35
139 27 27
141 999 999
142 51 51
145 35 35
146 98 98
148 24 24
149 59 59
151 31 31
153 12 12
154 39 39
156 35 35
157 12 12
159 59 59
160 12 12
162 47 47
163 43 43
165 47 47
167 24 24
169 35 35
170 35 35
172 39 39
174 20 20
175 47 47
177 27 27
180 31 31
182 39 39
183 8 8
184 141 141
186 31 31
188 16 16
189 47 47
191 39 39
193 8 8
194 31 31
196 55 55
198 35 35
200 47 47
202 43 43
203 8 8
204 55 55
206 16 16
207 47 47
209 16 16
211 51 51
212 27 27
214 39 39
216 12 12
218 43 43
220 27 27
221 12 12
223 39 39
224 12 12
225 51 51
227 27 27
229 43 43
232 55 55
233 27 27
235 24 24
237 20 20
239 43 43
241 24 24
242 24 24
244 39 39
246 27 27
248 51 51
250 43 43
253 27 27
255 43 43
257 12 12
258 31 31
260 27 27
262 27 27
264 47 47
265 12 12
267 51 51
269 12 12
270 39 39
272 35 35
274 51 51
276 20 20
278 39 39
280 39 39
282 35 35
284 20 20
285 74 74
287 31 31
289 8 8
290 39 39
292 24 24
293 8 8
294 27 27
297 24 24
299 39 39
//