MassBank Record: JP007532



 O,O-DIMETHYL O-(3-METHYL-4-NITROPHENYL) PHOSPHOROTHIOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP007532
RECORD_TITLE: O,O-DIMETHYL O-(3-METHYL-4-NITROPHENYL) PHOSPHOROTHIOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: KOGA MUNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH, 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$LINK: INCHIKEY ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
AC$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 //