MassBank Record: MSBNK-Waters-WA000199
ACCESSION: MSBNK-Waters-WA000199
RECORD_TITLE: Cloransulam-methyl; 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$NAME: Cloransulam-methyl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H13ClFN5O5S
CH$EXACT_MASS: 429.03100
CH$SMILES: CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(ccc2)C(=O)OC
CH$IUPAC: InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
CH$LINK: CAS
147150-35-4
CH$LINK: INCHIKEY
BIKACRYIQSLICJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8034372
AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 430
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0udi-0910000000-25368b978841e2ecbd67
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
73 20 20
74 8 8
90 8 8
97 8 8
101 8 8
103 20 20
109 8 8
111 27 27
113 82 82
115 8 8
117 8 8
123 12 12
124 90 90
126 12 12
129 20 20
131 8 8
136 39 39
137 12 12
139 24 24
143 8 8
147 16 16
150 12 12
153 999 999
154 31 31
157 12 12
159 16 16
164 274 274
165 35 35
167 215 215
168 24 24
172 39 39
174 8 8
179 255 255
180 16 16
185 157 157
186 16 16
188 8 8
194 35 35
200 20 20
202 55 55
204 12 12
206 8 8
215 8 8
216 8 8
223 27 27
230 90 90
236 71 71
243 8 8
251 16 16
258 137 137
260 12 12
263 8 8
271 8 8
279 8 8
286 12 12
306 35 35
//