ACCESSION: MSBNK-MSSJ-MSJ01098
RECORD_TITLE: Iprodione; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2017.01.05)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Iprodione
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₃H₁₃Cl₂N₃O₃
CH$EXACT_MASS: 329.03340
CH$SMILES: CC(C)NC(=O)N(C2)C(=O)N(C(=O)2)c(c1)cc(Cl)cc(Cl)1
CH$IUPAC: InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
CH$LINK: INCHIKEY ONUFESLQCSAYKA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:37517
CH$LINK: COMPTOX DTXSID3024154

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 16.9 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 329.0

PK$SPLASH: splash10-06xx-9324000000-0dd814320ba1009acaad
PK$NUM_PEAK: 146
PK$PEAK: m/z int. rel.int.
  41 364 364
  42 486 486
  43 810 810
  44 190 190
  46 11 11
  50 8 8
  51 15 15
  52 25 25
  53 10 10
  54 40 40
  56 451 451
  57 77 77
  58 433 433
  59 29 29
  60 5 5
  61 9 9
  63 17 17
  64 18 18
  69 33 33
  70 999 999
  71 67 67
  73 10 10
  74 40 40
  76 26 26
  78 6 6
  82 6 6
  84 73 73
  85 169 169
  86 27 27
  87 7 7
  88 21 21
  89 33 33
  91 41 41
  95 7 7
  96 20 20
  97 11 11
  98 5 5
  99 59 59
  100 17 17
  102 5 5
  103 6 6
  104 18 18
  106 14 14
  108 30 30
  109 30 30
  110 5 5
  111 32 32
  112 7 7
  113 9 9
  114 5 5
  116 11 11
  119 4 4
  123 7 7
  124 124 124
  126 68 68
  127 15 15
  129 8 8
  133 7 7
  135 9 9
  136 9 9
  138 17 17
  140 6 6
  143 5 5
  144 7 7
  145 45 45
  146 9 9
  147 26 26
  148 23 23
  149 7 7
  150 5 5
  151 5 5
  152 7 7
  153 35 35
  155 7 7
  157 53 53
  158 45 45
  159 102 102
  160 31 31
  161 27 27
  162 37 37
  163 22 22
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  219 17 17
  221 13 13
  227 6 6
  229 22 22
  244 90 90
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  246 114 114
  247 92 92
  248 24 24
  249 41 41
  262 19 19
  271 79 79
  272 50 50
  273 80 80
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  314 989 989
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  317 104 104
  318 100 100
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  344 7 7
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  395 0 0
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  492 5 5
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  495 17 17
  555 3 3
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  576 19 19
  599 6 6
//