MassBank Record: MSBNK-Waters-WA000030
ACCESSION: MSBNK-Waters-WA000030
RECORD_TITLE: Indoxacarb; 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$NAME: Indoxacarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H17ClF3N3O7
CH$EXACT_MASS: 527.07071
CH$SMILES: COC(=O)N(c(c4)ccc(OC(F)(F)F)c4)C(=O)N(C3)N=C(c21)C(O3)(C(=O)OC)Cc(cc(Cl)cc2)1
CH$IUPAC: InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1
CH$LINK: CAS
173584-44-6
CH$LINK: INCHIKEY
VBCVPMMZEGZULK-NRFANRHFSA-N
CH$LINK: COMPTOX
DTXSID1032690
AC$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 528.25
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0uxr-0980000000-eb101ea906399e6fedcc
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
102 12 12
104 35 35
117 8 8
127 12 12
131 16 16
132 176 176
133 8 8
137 16 16
149 102 102
150 999 999
151 74 74
152 27 27
155 51 51
156 8 8
160 8 8
161 59 59
162 102 102
163 39 39
164 27 27
165 8 8
167 31 31
168 8 8
169 8 8
174 8 8
175 16 16
176 16 16
177 27 27
178 8 8
179 63 63
180 8 8
188 27 27
189 239 239
190 752 752
192 47 47
193 8 8
194 20 20
195 90 90
196 8 8
199 8 8
202 27 27
203 979 979
204 24 24
207 78 78
208 8 8
213 16 16
214 43 43
215 20 20
216 74 74
217 231 231
218 960 960
219 102 102
220 16 16
221 16 16
223 192 192
225 8 8
231 24 24
248 31 31
249 90 90
250 12 12
263 59 59
264 8 8
293 12 12
389 8 8
//