MassBank Record: MSJ01038



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

ACCESSION: MSJ01038
RECORD_TITLE: Amino-chlornitrofen; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (2016.12.16)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Amino-chlornitrofen CH$NAME: CNP-amino CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H8Cl3NO CH$EXACT_MASS: 286.96715 CH$SMILES: C1=CC(=CC=C1N)OC2=C(C=C(C=C2Cl)Cl)Cl CH$IUPAC: InChI=1S/C12H8Cl3NO/c13-7-5-10(14)12(11(15)6-7)17-9-3-1-8(16)2-4-9/h1-6H,16H2 CH$LINK: INCHIKEY YDIXMXKRLYKJJM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:33473 CH$LINK: COMPTOX DTXSID20180919
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$CHROMATOGRAPHY: RETENTION_TIME 13.31 min
PK$SPLASH: splash10-052r-4790000000-ad779f44b815832a7fe6 PK$NUM_PEAK: 79 PK$PEAK: m/z int. rel.int. 40 8 8 41 21 21 42 8 8 44 6 6 50 8 8 51 13 13 52 37 37 53 62 62 54 13 13 61 5 5 62 17 17 63 34 34 64 31 31 65 192 192 66 27 27 72 4 4 73 11 11 74 19 19 75 9 9 76 7 7 77 13 13 78 9 9 79 8 8 80 143 143 81 9 9 84 5 5 90 6 6 91 12 12 92 41 41 94 7 7 97 11 11 99 10 10 107 10 10 108 999 999 109 86 86 110 8 8 121 16 16 125 6 6 126 10 10 127 19 19 128 5 5 143 25 25 144 19 19 145 9 9 146 5 5 147 5 5 152 5 5 153 10 10 154 17 17 155 5 5 161 7 7 162 5 5 167 5 5 169 7 7 179 8 8 181 10 10 182 5 5 183 5 5 188 11 11 189 10 10 196 10 10 198 7 7 216 5 5 217 82 82 218 12 12 219 29 29 224 13 13 226 9 9 251 13 13 252 9 9 253 13 13 286 14 14 287 544 544 288 78 78 289 518 518 290 72 72 291 169 169 292 21 21 293 17 17 //

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