MassBank Record: MSBNK-MSSJ-MSJ01040
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
//