ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010745
RECORD_TITLE: BUTAMIFOS; 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$NAME: BUTAMIFOS
CH$NAME: O-ETHYL O-6-NITRO-META-TOLYL-SEC-BUTYLPHOSPHORAMIDOTHIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₁N₂O₄PS
CH$EXACT_MASS: 332.09596
CH$SMILES: CCC(C)NP(=S)(OCC)Oc(c1)c(ccc(C)1)[N+1]([O-1])=O
CH$IUPAC: InChI=1S/C13H21N2O4PS/c1-5-11(4)14-20(21,18-6-2)19-13-9-10(3)7-8-12(13)15(16)17/h7-9,11H,5-6H2,1-4H3,(H,14,21)
CH$LINK: INCHIKEY OEYOMNZEMCPTKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5058068

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$SPLASH: splash10-0udr-2390000000-2af5e503b8363383de1d
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  44 3.25 33
  57 3.65 37
  64 2.06 21
  65 3.28 33
  70 1.07 11
  72 29.3 293
  73 1.25 13
  80 1.21 12
  92 4.78 48
  93 1.74 17
  96 25.04 250
  98 1.06 11
  120 18.39 184
  121 2.11 21
  122 3.78 38
  123 1.34 13
  124 4.53 45
  136 6.16 62
  137 6.22 62
  138 1.49 15
  139 1.39 14
  148 1.42 14
  150 3.59 36
  152 26.39 264
  153 3.06 31
  154 1.38 14
  164 1.04 10
  168 2.6 26
  169 1.13 11
  178 1.06 11
  180 3.66 37
  184 7.78 78
  185 8.53 85
  186 1.04 10
  196 2.29 23
  200 61.14 611
  201 5.96 60
  202 30.46 305
  203 8.53 85
  204 2.21 22
  216 1.75 18
  228 10.66 107
  229 1.42 14
  232 28.1 281
  233 2.81 28
  234 1.63 16
  244 1.45 15
  256 3.01 30
  258 20.61 206
  259 2.9 29
  260 14.62 146
  261 2.05 21
  282 4.16 42
  286 99.99 999
  287 15.88 159
  288 6.11 61
  303 1.21 12
  332 0.11 1
//