MassBank Record: MSBNK-Waters-WA000031
ACCESSION: MSBNK-Waters-WA000031
RECORD_TITLE: Indoxacarb; 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$NAME: Indoxacarb
CH$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 40 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: splash10-0udi-0950000000-10bc7c64dc1d23649cbd
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
103 74 74
104 27 27
105 8 8
115 16 16
116 8 8
118 16 16
125 8 8
127 27 27
128 20 20
131 31 31
132 145 145
134 31 31
136 8 8
141 8 8
142 16 16
148 16 16
150 627 627
151 51 51
152 20 20
154 20 20
155 31 31
156 16 16
161 8 8
162 309 309
163 59 59
164 27 27
165 12 12
166 24 24
167 35 35
168 8 8
169 8 8
174 20 20
175 35 35
176 63 63
177 20 20
178 8 8
179 55 55
181 12 12
188 47 47
189 59 59
190 333 333
191 27 27
195 86 86
202 47 47
203 999 999
204 27 27
206 12 12
207 39 39
215 8 8
217 82 82
218 125 125
219 20 20
223 16 16
231 16 16
//