MassBank Record: MSJ01095



 Inabenfide; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01095
RECORD_TITLE: Inabenfide; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (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
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 //