MassBank Record: MSBNK-Waters-WA000032
ACCESSION: MSBNK-Waters-WA000032
RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:50 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 50 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-0930000000-e517cac03bd04d34b41c
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
100 8 8
102 8 8
104 188 188
105 31 31
109 16 16
112 12 12
114 24 24
115 39 39
116 20 20
117 8 8
123 24 24
124 8 8
125 16 16
126 82 82
127 94 94
128 43 43
129 12 12
131 27 27
132 55 55
133 35 35
134 188 188
135 20 20
136 8 8
137 16 16
139 16 16
141 12 12
142 43 43
143 8 8
147 12 12
148 43 43
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150 435 435
151 71 71
152 39 39
155 35 35
156 27 27
157 12 12
160 8 8
161 24 24
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164 59 59
165 16 16
167 102 102
168 16 16
174 35 35
175 78 78
177 82 82
178 16 16
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180 8 8
188 47 47
189 8 8
190 200 200
191 27 27
192 8 8
194 24 24
195 20 20
197 8 8
202 110 110
203 999 999
204 55 55
205 8 8
207 8 8
215 8 8
217 27 27
218 31 31
219 12 12
//