ACCESSION: MSBNK-MSSJ-MSJ01084
RECORD_TITLE: Allethrin 2; 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$NAME: Allethrin 2
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C₂₀H₂₆O₅
CH$EXACT_MASS: 346.17802
CH$SMILES: CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)/C=C(\C)/C(=O)OC)CC=C
CH$IUPAC: InChI=1S/C20H26O5/c1-7-8-13-12(3)16(10-15(13)21)25-19(23)17-14(20(17,4)5)9-11(2)18(22)24-6/h7,9,14,16-17H,1,8,10H2,2-6H3/b11-9+
CH$LINK: INCHIKEY WZRUHNUBXOTVHG-PKNBQFBNSA-N
CH$LINK: PUBCHEM CID:10427734

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 11.7 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 346.2

PK$SPLASH: splash10-00fu-9700000000-05de07d40f35ebe34c39
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  40 8 8
  41 261 261
  42 11 11
  43 189 189
  44 74 74
  50 12 12
  51 43 43
  52 16 16
  53 71 71
  54 14 14
  55 90 90
  57 21 21
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  81 311 311
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  94 22 22
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  108 53 53
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  110 12 12
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  116 6 6
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  119 23 23
  121 56 56
  122 27 27
  123 999 999
  124 111 111
  125 18 18
  133 16 16
  134 51 51
  135 50 50
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  137 20 20
  139 12 12
  149 5 5
  151 5 5
  153 36 36
  167 6 6
  168 31 31
  302 5 5
//