MassBank Record: MSBNK-Waters-WA000195
ACCESSION: MSBNK-Waters-WA000195
RECORD_TITLE: Cloprop; 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$NAME: Cloprop
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H9ClO3
CH$EXACT_MASS: 200.02402
CH$SMILES: OC(=O)C(C)Oc(c1)cc(Cl)cc1
CH$IUPAC: InChI=1S/C9H9ClO3/c1-6(9(11)12)13-8-4-2-3-7(10)5-8/h2-6H,1H3,(H,11,12)
CH$LINK: CAS
101-10-0
CH$LINK: INCHIKEY
YNTJKQDWYXUTLZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9034232
AC$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 198.8
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-1910000000-31048b9445ef32aa8021
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
52 12 12
54 8 8
56 8 8
58 8 8
60 12 12
62 8 8
64 8 8
66 8 8
69 12 12
71 47 47
73 12 12
74 16 16
76 8 8
79 20 20
81 8 8
82 16 16
87 16 16
88 8 8
91 20 20
93 12 12
95 8 8
97 8 8
100 20 20
102 8 8
104 16 16
106 8 8
108 16 16
110 8 8
112 8 8
114 12 12
116 8 8
118 8 8
120 16 16
123 35 35
125 94 94
127 999 999
129 16 16
131 12 12
133 16 16
135 8 8
136 16 16
138 12 12
141 12 12
144 8 8
146 8 8
149 12 12
151 8 8
154 12 12
156 12 12
157 8 8
162 8 8
164 8 8
166 12 12
168 8 8
171 8 8
173 8 8
175 8 8
178 12 12
181 12 12
183 8 8
185 12 12
187 12 12
189 8 8
191 16 16
193 8 8
194 8 8
197 8 8
199 16 16
201 8 8
202 8 8
204 8 8
206 16 16
209 8 8
213 8 8
215 12 12
218 12 12
220 8 8
221 8 8
224 12 12
225 8 8
227 8 8
230 8 8
232 12 12
234 8 8
235 12 12
237 8 8
239 12 12
242 8 8
244 12 12
246 8 8
248 8 8
//