MassBank Record: MSBNK-Waters-WA000198
ACCESSION: MSBNK-Waters-WA000198
RECORD_TITLE: Cloransulam-methyl; 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$NAME: Cloransulam-methyl
CH$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 30 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: splash10-0a4r-0945000000-545799ca766841e497c4
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
73 82 82
74 8 8
100 8 8
111 16 16
113 39 39
124 20 20
129 12 12
138 16 16
140 12 12
144 8 8
147 27 27
153 752 752
154 27 27
157 20 20
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165 31 31
166 243 243
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171 27 27
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181 16 16
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187 35 35
194 149 149
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200 20 20
202 51 51
203 24 24
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220 16 16
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243 8 8
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277 12 12
279 51 51
286 59 59
287 8 8
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306 999 999
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327 8 8
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370 541 541
371 24 24
398 12 12
//