ACCESSION: MSBNK-MSSJ-MSJ01070
RECORD_TITLE: Azoxystrobin; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (Created 2016.12.28)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Azoxystrobin
CH$NAME: Methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-YL]oxyphenyl]-3-methoxy-prop-2-enoate
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₂₂H₁₇N₃O₅
CH$EXACT_MASS: 403.1168206
CH$SMILES: CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC
CH$IUPAC: InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
CH$LINK: CAS 131860-33-8
CH$LINK: CHEBI 40909
CH$LINK: CHEMSPIDER 2298772
CH$LINK: COMPTOX DTXSID0032520
CH$LINK: INCHIKEY WFDXOXNFNRHQEC-GHRIWEEISA-N
CH$LINK: KEGG C18558
CH$LINK: PUBCHEM CID:3034285

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 25.9 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 403.12

PK$SPLASH: splash10-0006-6629000000-21ca8c121fc5f3610f9d
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  41 10 10
  42 17 17
  44 239 239
  45 27 27
  47 79 79
  48 9 9
  50 23 23
  51 70 70
  52 25 25
  53 11 11
  56 13 13
  57 23 23
  59 32 32
  61 8 8
  63 34 34
  65 15 15
  66 9 9
  68 25 25
  69 53 53
  71 17 17
  75 348 348
  76 87 87
  77 100 100
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  86 9 9
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  89 84 84
  90 55 55
  91 58 58
  94 11 11
  97 14 14
  98 7 7
  99 16 16
  101 102 102
  102 102 102
  103 137 137
  104 46 46
  105 58 58
  114 20 20
  115 19 19
  116 97 97
  117 15 15
  118 25 25
  119 43 43
  120 16 16
  121 17 17
  123 7 7
  127 5 5
  128 65 65
  129 74 74
  131 25 25
  133 65 65
  134 23 23
  136 9 9
  140 16 16
  141 28 28
  143 25 25
  144 49 49
  145 83 83
  147 15 15
  148 9 9
  149 9 9
  150 9 9
  156 42 42
  157 9 9
  158 8 8
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  168 6 6
  169 6 6
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  328 40 40
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  330 27 27
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  344 999 999
  345 310 310
  346 50 50
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  360 61 61
  361 5 5
  370 6 6
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  373 19 19
  374 8 8
  388 261 261
  389 74 74
  390 13 13
  403 88 88
  404 26 26
  413 9 9
  440 7 7
  554 5 5
  571 18 18
//