MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007532
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007532
RECORD_TITLE: O,O-DIMETHYL O-(3-METHYL-4-NITROPHENYL) PHOSPHOROTHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: O,O-DIMETHYL O-(3-METHYL-4-NITROPHENYL) PHOSPHOROTHIOATE
CH$NAME: FENITROTHION
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12NO5PS
CH$EXACT_MASS: 277.01738
CH$SMILES: [O-1][N+1](=O)c(c1)c(C)cc(c1)OP(=S)(OC)OC
CH$IUPAC: InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
CH$LINK: CAS
122-14-5
CH$LINK: INCHIKEY
ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4032613
AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01tc-9540000000-a180b7cec61770691237
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
45 5 50
47 47.9 479
50 7 70
51 1.65 17
52 14.5 145
53 5 50
62 20.2 202
63 3.44 34
64 4.3 43
65 6.7 67
66 4.3 43
69 0.2 2
74 2 20
75 3 30
76 3 30
77 1.79 18
78 11.4 114
79 88.1 881
80 7.4 74
81 0.2 2
83 2 20
89 18.9 189
90 17.7 177
91 0.47 5
92 2.7 27
93 59.7 597
94 7.7 77
95 0.77 8
96 7 70
97 3.3 33
103 2 20
104 0.2 2
105 3.3 33
106 5.4 54
107 2.7 27
108 0.57 6
109 17.9 179
110 10.4 104
111 5 50
112 0.2 2
119 3.3 33
120 10.1 101
121 15.2 152
122 1.04 10
123 9.4 94
124 6.7 67
125 22.6 226
126 0.77 8
127 16.8 168
136 15.8 158
137 5.4 54
138 1.41 14
139 3.7 37
140 2 20
150 16.8 168
151 0.7 7
152 10.1 101
153 4 40
166 4.3 43
168 0.43 4
169 4.7 47
182 3.3 33
199 3 30
200 0.27 3
201 2 20
202 3 30
214 13.8 138
215 0.33 3
216 4.3 43
217 2 20
228 4 40
230 0.4 4
231 2 20
232 3 30
246 6 60
247 1.55 16
260 99.99 999
261 16.2 162
262 6.7 67
277 1.28 13
278 17.9 179
279 11.8 118
//
system version 2.2.6-SNAPSHOT