MassBank Record: MSBNK-MSSJ-MSJ01087
ACCESSION: MSBNK-MSSJ-MSJ01087
RECORD_TITLE: Isoxathion oxon; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2016.12.28)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data
CH$NAME: Isoxathion oxon
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C13H16NO5P
CH$EXACT_MASS: 297.07661
CH$SMILES: [H]C([H])([H])C([H])([H])OP(=O)(OC([H])([H])C([H])([H])[H])Oc(n2)c([H])c(o2)c(c([H])1)c([H])c([H])c([H])c([H])1
CH$IUPAC: InChI=1S/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
CH$LINK: INCHIKEY
VLBRWDJSOHOVGF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:154897
CH$LINK: COMPTOX
DTXSID30186043
AC$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 12.9 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 297.1
PK$SPLASH: splash10-0a6r-7910000000-26143de6c04a0784250c
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
40 8 8
42 48 48
43 29 29
44 5 5
45 28 28
46 65 65
48 13 13
50 112 112
51 229 229
54 7 7
61 28 28
62 31 31
65 23 23
67 31 31
69 65 65
70 14 14
72 10 10
74 21 21
76 35 35
77 685 685
78 209 209
80 14 14
81 98 98
82 63 63
83 16 16
85 14 14
87 25 25
89 57 57
90 10 10
91 72 72
92 11 11
93 10 10
94 6 6
99 183 183
100 31 31
102 106 106
103 54 54
104 9 9
105 999 999
106 103 103
108 5 5
109 57 57
111 14 14
113 37 37
116 37 37
118 25 25
119 16 16
123 5 5
124 7 7
125 76 76
126 23 23
127 95 95
129 62 62
133 50 50
135 20 20
137 19 19
143 7 7
145 99 99
146 61 61
150 17 17
152 10 10
153 10 10
154 10 10
156 17 17
157 5 5
160 14 14
161 271 271
162 25 25
171 29 29
172 58 58
173 95 95
180 13 13
181 16 16
182 6 6
187 10 10
188 37 37
192 8 8
194 19 19
198 7 7
199 7 7
203 27 27
204 7 7
209 11 11
213 19 19
218 8 8
220 7 7
223 14 14
224 18 18
226 14 14
227 15 15
230 11 11
231 5 5
233 10 10
241 13 13
254 71 71
268 6 6
269 11 11
277 6 6
282 37 37
305 5 5
308 6 6
331 5 5
343 13 13
350 5 5
355 7 7
362 7 7
375 18 18
381 8 8
409 12 12
415 18 18
436 6 6
466 18 18
470 13 13
471 7 7
498 21 21
503 9 9
519 7 7
530 8 8
531 20 20
536 5 5
540 5 5
543 15 15
552 6 6
565 5 5
571 9 9
582 6 6
//