MassBank Record: MSBNK-MSSJ-MSJ01041
ACCESSION: MSBNK-MSSJ-MSJ01041
RECORD_TITLE: EPN-oxon; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 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
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45 13 13
46 5 5
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50 17 17
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291 19 19
306 112 112
307 90 90
308 17 17
//
system version 2.2.6-SNAPSHOT