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
//