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
//