ACCESSION: MSBNK-MSSJ-MSJ01057
RECORD_TITLE: beta-Chlorfenvinphos; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.21)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: beta-Chlorfenvinphos
CH$NAME: (Z)- Chlorfenvinphos
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₂H₁₄Cl₃O₄P
CH$EXACT_MASS: 357.96953
CH$SMILES: CCOP(=O)(OCC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)Cl
CH$IUPAC: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
CH$LINK: INCHIKEY FSAVDKDHPDSCTO-WQLSENKSSA-N
CH$LINK: PUBCHEM CID:5377784

AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 11.63 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 357.97

PK$SPLASH: splash10-0ln9-4911000000-5e361fa7ef8bdff27bdc
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  40 11 16
  41 6 9
  43 37 55
  45 64 95
  47 14 21
  48 8 12
  50 27 40
  51 11 16
  57 8 12
  61 10 15
  62 22 33
  63 21 31
  65 42 63
  67 8 12
  73 47 70
  74 87 130
  75 97 145
  76 57 85
  77 9 13
  78 24 36
  81 420 626
  82 21 31
  84 11 16
  85 25 37
  86 17 25
  87 29 43
  88 9 13
  89 22 33
  91 148 221
  92 9 13
  93 11 16
  95 7 10
  97 27 40
  98 32 48
  99 161 240
  100 19 28
  102 9 13
  108 12 18
  109 330 492
  110 46 69
  111 54 81
  112 14 21
  113 10 15
  115 8 12
  121 7 10
  123 148 221
  124 19 28
  125 99 148
  127 24 36
  133 66 98
  134 40 60
  135 54 81
  136 9 13
  137 38 57
  138 9 13
  139 11 16
  141 7 10
  143 8 12
  145 104 155
  146 81 121
  147 71 106
  148 56 83
  149 20 30
  150 10 15
  152 13 19
  153 400 596
  154 8 12
  155 7 10
  157 23 34
  158 33 49
  159 177 264
  160 25 37
  161 107 160
  162 13 19
  163 11 16
  169 44 66
  170 275 410
  171 64 95
  172 169 252
  173 165 246
  174 44 66
  175 107 160
  176 9 13
  177 20 30
  186 14 21
  269 670 999
  325 650 969
  358 8 12
//