MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010747
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010747
RECORD_TITLE: FENITROTHION; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: FENITROTHION
CH$NAME: O,O-DIMETHYL O-4-NITRO-M-TOLYL PHOSPHOROTHIOATE
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: INCHIKEY
ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4032613
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004i-1980000000-469fd8d8b5afef55db6d
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
47 2.79 28
62 1.57 16
77 1.06 11
79 9.42 94
80 1.6 16
91 1.08 11
93 10.44 104
96 1.83 18
109 75.79 758
110 2.67 27
120 3.68 37
121 4.15 42
122 2.06 21
123 1.99 20
124 1.48 15
125 71.75 718
126 2.31 23
127 5.69 57
136 4.04 40
137 1.1 11
150 4.82 48
151 1.72 17
152 3.51 35
153 1.49 15
169 1.81 18
199 1.06 11
214 4.58 46
216 1 10
228 1.34 13
230 1.45 15
231 3.68 37
232 1.08 11
246 2.25 23
247 1.94 19
260 34.62 346
261 4.63 46
262 2.59 26
277 99.99 999
278 11.2 112
279 6.09 61
//