MassBank Record: MSJ01040



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

ACCESSION: MSJ01040
RECORD_TITLE: EPN; GC-EI-Q; MS
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$NAME: EPN CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H14NO4PS CH$EXACT_MASS: 323.03812 CH$SMILES: CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] CH$IUPAC: InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 CH$LINK: INCHIKEY AIGRXSNSLVJMEA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:16421
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$CHROMATOGRAPHY: RETENTION_TIME 17.13 min
PK$SPLASH: splash10-0aor-3900000000-adc3b34bb8750138cc27 PK$NUM_PEAK: 113 PK$PEAK: m/z int. rel.int. 40 8 8 41 19 19 44 85 85 45 33 33 47 113 113 50 42 42 51 97 97 52 26 26 53 30 30 54 10 10 55 5 5 56 13 13 57 6 6 58 24 24 59 5 5 60 13 13 61 9 9 63 256 256 64 38 38 65 75 75 66 20 20 67 5 5 69 6 6 70 18 18 72 6 6 74 16 16 75 22 22 76 24 24 77 244 244 78 92 92 79 28 28 80 30 30 81 12 12 82 8 8 83 17 17 89 4 4 93 26 26 94 17 17 95 22 22 96 24 24 100 5 5 103 8 8 105 8 8 107 41 41 108 54 54 109 155 155 110 182 182 111 10 10 112 10 10 117 13 13 120 11 11 123 42 42 124 15 15 125 89 89 126 5 5 128 18 18 139 104 104 140 52 52 141 495 495 142 37 37 143 11 11 145 5 5 147 5 5 150 15 15 153 18 18 154 12 12 155 46 46 156 7 7 157 999 999 158 90 90 159 66 66 169 622 622 170 66 66 171 11 11 175 5 5 176 6 6 177 9 9 185 283 283 186 28 28 187 15 15 202 5 5 207 13 13 208 12 12 215 5 5 216 9 9 218 5 5 232 18 18 233 15 15 239 5 5 240 5 5 244 5 5 247 8 8 248 20 20 253 5 5 262 19 19 267 7 7 268 5 5 277 18 18 278 22 22 279 5 5 281 5 5 293 85 85 294 32 32 295 8 8 307 49 49 308 8 8 323 90 90 324 18 18 325 5 5 326 5 5 327 5 5 343 5 5 346 7 7 //