MassBank Record: MSJ01085



 Isozophos; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01085
RECORD_TITLE: Isozophos; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isozophos CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C9H17ClN3O3PS CH$EXACT_MASS: 313.04168 CH$SMILES: CCOP(=S)(OCC)Oc(n1)nn(C(C)C)c(Cl)1 CH$IUPAC: InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3 CH$LINK: INCHIKEY XRHGWAGWAHHFLF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:39223
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$CHROMATOGRAPHY: RETENTION_TIME 8.7 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 313.0
PK$SPLASH: splash10-0296-5920000000-c3b5439183136e1bb464 PK$NUM_PEAK: 188 PK$PEAK: m/z int. rel.int. 40 8 8 41 411 411 42 172 172 43 675 675 44 91 91 45 75 75 46 14 14 47 50 50 48 13 13 49 7 7 52 5 5 53 13 13 54 20 20 55 15 15 56 30 30 58 44 44 59 16 16 60 30 30 61 24 24 62 58 58 63 58 58 64 26 26 65 460 460 67 7 7 68 48 48 69 60 60 70 58 58 71 7 7 73 17 17 74 9 9 76 24 24 77 35 35 78 7 7 79 26 26 80 28 28 81 83 83 82 11 11 83 46 46 84 70 70 85 26 26 86 9 9 87 13 13 88 10 10 89 14 14 90 25 25 91 46 46 92 14 14 93 407 407 94 23 23 96 34 34 97 722 722 98 17 17 99 47 47 100 9 9 101 5 5 102 5 5 103 19 19 104 14 14 105 17 17 106 10 10 107 10 10 108 26 26 109 109 109 110 16 16 111 18 18 112 7 7 113 21 21 114 25 25 115 12 12 117 7 7 118 8 8 119 999 999 120 297 297 121 704 704 122 120 120 123 30 30 124 14 14 125 177 177 126 7 7 127 20 20 128 13 13 129 12 12 130 203 203 131 37 37 132 82 82 133 15 15 134 11 11 135 125 125 136 15 15 137 67 67 138 62 62 139 7 7 140 20 20 141 7 7 142 10 10 145 5 5 146 271 271 147 52 52 148 103 103 149 32 32 150 23 23 151 13 13 152 5 5 153 40 40 154 12 12 155 5 5 158 5 5 160 8 8 161 791 791 162 549 549 163 301 301 164 181 181 165 30 30 166 129 129 167 8 8 168 48 48 171 44 44 172 305 305 173 48 48 174 122 122 175 17 17 176 11 11 177 202 202 178 14 14 179 99 99 180 11 11 182 22 22 184 6 6 188 23 23 189 34 34 190 29 29 191 5 5 192 19 19 194 12 12 195 8 8 197 5 5 198 78 78 199 15 15 200 46 46 205 26 26 207 21 21 208 167 167 209 21 21 210 81 81 211 5 5 212 9 9 214 46 46 215 26 26 216 27 27 217 13 13 224 8 8 225 7 7 226 11 11 227 6 6 228 13 13 236 36 36 238 20 20 240 16 16 241 5 5 242 15 15 243 12 12 244 11 11 250 35 35 252 22 22 255 8 8 256 5 5 257 306 306 258 23 23 259 125 125 261 6 6 268 8 8 269 7 7 270 12 12 271 7 7 272 8 8 278 78 78 279 6 6 280 32 32 281 15 15 282 17 17 285 214 214 286 27 27 287 84 84 288 11 11 297 8 8 313 75 75 314 11 11 315 43 43 //