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MassBank Record: MSBNK-MSSJ-MSJ01084

Allethrin 2; GC-EI-Q; MS; Positive; M+*

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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
  63 9 9
  65 62 62
  66 24 24
  67 95 95
  68 10 10
  69 73 73
  71 6 6
  77 139 139
  78 39 39
  79 386 386
  80 41 41
  81 311 311
  82 23 23
  83 27 27
  89 7 7
  91 258 258
  92 43 43
  93 217 217
  94 22 22
  95 71 71
  96 7 7
  97 14 14
  103 16 16
  104 7 7
  105 74 74
  106 24 24
  107 217 217
  108 53 53
  109 33 33
  110 12 12
  111 10 10
  116 6 6
  117 6 6
  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
  136 246 246
  137 20 20
  139 12 12
  149 5 5
  151 5 5
  153 36 36
  167 6 6
  168 31 31
  302 5 5
//

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