ACCESSION: MSBNK-MSSJ-MSJ01083
RECORD_TITLE: Allethrin 1; 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$NAME: Allethrin 1
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₁₉H₂₆O₃
CH$EXACT_MASS: 302.18819
CH$SMILES: C=CCC(C(=O)2)=C(C)C(C2)OC(=O)C(C(C=C(C)C)1)C(C)(C)1
CH$IUPAC: InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
CH$LINK: INCHIKEY ZCVAOQKBXKSDMS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11442
CH$LINK: COMPTOX DTXSID8035180

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 11.6 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 302.2

PK$SPLASH: splash10-00dl-9600000000-10b261a005df5d49c8dc
PK$NUM_PEAK: 129
PK$PEAK: m/z int. rel.int.
  40 103 103
  41 252 252
  43 151 151
  44 103 103
  45 5 5
  46 16 16
  47 7 7
  48 13 13
  51 95 95
  52 19 19
  53 137 137
  54 17 17
  55 103 103
  56 7 7
  57 13 13
  59 6 6
  61 18 18
  62 22 22
  64 23 23
  65 105 105
  66 12 12
  67 70 70
  69 60 60
  71 45 45
  73 20 20
  76 5 5
  77 124 124
  78 74 74
  79 398 398
  80 57 57
  81 398 398
  83 47 47
  85 10 10
  87 39 39
  91 291 291
  92 73 73
  93 291 291
  95 64 64
  97 18 18
  99 7 7
  105 125 125
  106 27 27
  107 230 230
  108 55 55
  109 35 35
  115 30 30
  120 12 12
  121 74 74
  122 37 37
  123 999 999
  124 82 82
  125 60 60
  130 12 12
  131 15 15
  133 49 49
  134 40 40
  135 72 72
  136 285 285
  137 11 11
  138 5 5
  141 12 12
  143 6 6
  145 11 11
  146 12 12
  149 7 7
  151 15 15
  152 13 13
  157 18 18
  161 16 16
  167 7 7
  168 71 71
  173 16 16
  180 8 8
  187 5 5
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  196 10 10
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  267 24 24
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  352 13 13
  355 21 21
  362 5 5
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  429 11 11
  434 6 6
  437 5 5
  439 6 6
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  454 5 5
  460 5 5
  477 19 19
  480 19 19
  518 7 7
  561 19 19
//