MassBank Record: MSBNK-MSSJ-MSJ01083
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
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//