MassBank Record: MSJ01041



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

ACCESSION: MSJ01041
RECORD_TITLE: EPN-oxon; 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$NAME: EPN-oxon CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H14NO5P CH$EXACT_MASS: 307.06096 CH$SMILES: CCOP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] CH$IUPAC: InChI=1S/C14H14NO5P/c1-2-19-21(18,14-6-4-3-5-7-14)20-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3 CH$LINK: INCHIKEY PDABPGQGULTJFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:107973 CH$LINK: COMPTOX DTXSID50942148
AC$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 15.65 min
PK$SPLASH: splash10-0006-4911000000-7311aacc9501d1aa8576 PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 40 8 8 43 26 26 45 13 13 46 5 5 47 33 33 50 17 17 51 62 62 52 14 14 53 6 6 54 5 5 56 7 7 63 24 24 64 23 23 65 49 49 68 6 6 74 10 10 75 18 18 76 28 28 77 359 359 78 26 26 80 20 20 81 12 12 82 8 8 83 5 5 92 8 8 93 13 13 94 11 11 95 10 10 103 5 5 105 7 7 108 23 23 109 90 90 110 5 5 111 4 4 121 5 5 123 18 18 124 7 7 125 12 12 139 31 31 140 19 19 141 999 999 142 91 91 144 7 7 149 7 7 150 7 7 152 7 7 155 5 5 159 8 8 168 5 5 169 152 152 170 26 26 215 49 49 216 9 9 217 5 5 262 20 20 263 5 5 277 59 59 278 49 49 279 34 34 291 19 19 306 112 112 307 90 90 308 17 17 //

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