MassBank Record: MSJ01084



 Allethrin 2; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01084
RECORD_TITLE: Allethrin 2; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (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$SMILES: C=CCC(C(=O)2)=C(C)C(C2)OC(=O)C(C(C=C(C)C(=O)OC)1)C(C)(C)1 CH$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 //