MassBank Record: MSBNK-MSSJ-MSJ01095
ACCESSION: MSBNK-MSSJ-MSJ01095
RECORD_TITLE: Inabenfide; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2017.01.05)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data
CH$NAME: Inabenfide
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C19H15ClN2O2
CH$EXACT_MASS: 338.08221
CH$SMILES: Clc(c2)cc(C(O)c(c3)cccc3)c(c2)NC(=O)c(c1)ccnc1
CH$IUPAC: InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)
CH$LINK: INCHIKEY
PFDCOZXELJAUTR-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:92401
CH$LINK: COMPTOX
DTXSID0058192
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 10.5 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 338.1
PK$SPLASH: splash10-03di-4790000000-fa41dbcc66f6bcce876f
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
40 8 8
44 34 34
49 10 10
50 33 33
51 28 28
55 15 15
61 15 15
62 37 37
63 26 26
68 9 9
73 8 8
74 47 47
75 111 111
76 51 51
77 13 13
78 7 7
80 19 19
81 11 11
82 5 5
85 8 8
86 5 5
87 13 13
88 24 24
89 167 167
90 6 6
91 5 5
93 33 33
97 9 9
98 15 15
99 38 38
100 28 28
101 14 14
102 5 5
107 107 107
111 11 11
112 5 5
113 11 11
114 5 5
122 8 8
123 17 17
124 10 10
125 46 46
126 19 19
127 19 19
129 6 6
135 8 8
139 5 5
147 5 5
149 26 26
150 124 124
151 224 224
152 91 91
153 15 15
154 9 9
160 8 8
168 5 5
175 9 9
176 34 34
177 160 160
178 290 290
179 66 66
180 11 11
186 7 7
187 17 17
188 6 6
207 7 7
212 18 18
213 999 999
214 191 191
215 350 350
216 64 64
332 7 7
//