MassBank Record: MSJ01094



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

ACCESSION: MSJ01094
RECORD_TITLE: Isoproturon; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2017.01.05)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isoproturon CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H18N2O CH$EXACT_MASS: 206.14191 CH$SMILES: CN(C)C(=O)Nc(c1)ccc(C(C)C)c1 CH$IUPAC: InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15) CH$LINK: INCHIKEY PUIYMUZLKQOUOZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:36679 CH$LINK: COMPTOX DTXSID1042077
AC$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 9.6 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 206.1
PK$SPLASH: splash10-006t-6900000000-17f2cdc83ea538ac77b6 PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 40 8 8 41 64 64 42 49 49 43 31 31 44 185 185 45 116 116 46 17 17 50 11 11 51 39 39 52 19 19 56 13 13 58 18 18 59 5 5 62 11 11 63 38 38 64 29 29 65 43 43 72 740 740 73 49 49 77 123 123 78 31 31 79 20 20 88 8 8 89 36 36 90 33 33 91 134 134 92 28 28 93 6 6 101 9 9 102 14 14 103 51 51 104 18 18 105 10 10 115 7 7 116 35 35 117 51 51 118 75 75 119 34 34 120 37 37 121 39 39 122 5 5 128 402 402 129 44 44 130 11 11 132 32 32 133 14 14 134 22 22 135 7 7 136 9 9 144 11 11 145 18 18 146 999 999 147 100 100 148 21 21 159 19 19 160 13 13 161 277 277 162 40 40 163 14 14 171 16 16 175 5 5 180 10 10 191 128 128 192 24 24 206 226 226 207 23 23 //

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