ACCESSION: MSBNK-MSSJ-MSJ01040
RECORD_TITLE: EPN; GC-EI-Q; MS
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$NAME: EPN
CH$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
CH$LINK: COMPTOX DTXSID7022174

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
//