MassBank Record: MSJ01078



 Alachlor; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01078
RECORD_TITLE: Alachlor; 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$NAME: Alachlor CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H20ClNO2 CH$EXACT_MASS: 269.11826 CH$SMILES: COCN(C(=O)CCl)c(c(CC)1)c(CC)ccc1 CH$IUPAC: InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3 CH$LINK: INCHIKEY XCSGPAVHZFQHGE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2078 CH$LINK: COMPTOX DTXSID1022265
AC$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 269.12
PK$SPLASH: splash10-01ot-4910000000-ff5ad7c7837234075e25 PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 40 8 8 41 30 30 42 22 22 43 28 28 44 11 11 45 999 999 46 21 21 49 19 19 50 6 6 51 25 25 52 9 9 53 13 13 55 5 5 56 7 7 59 28 28 63 14 14 64 6 6 65 31 31 66 6 6 76 9 9 77 94 94 78 26 26 79 47 47 80 5 5 89 15 15 90 18 18 91 100 100 92 13 13 93 13 13 94 5 5 102 13 13 103 41 41 104 21 21 105 52 52 106 11 11 115 52 52 116 26 26 117 127 127 118 118 118 119 36 36 120 31 31 121 11 11 122 5 5 127 8 8 128 23 23 129 11 11 130 112 112 131 98 98 132 161 161 133 35 35 134 16 16 142 11 11 143 25 25 144 64 64 145 35 35 146 280 280 147 100 100 148 122 122 149 32 32 150 9 9 156 7 7 157 5 5 158 50 50 159 27 27 160 607 607 161 174 174 162 133 133 163 19 19 164 9 9 170 11 11 171 5 5 172 45 45 173 15 15 174 48 48 175 17 17 176 19 19 178 23 23 186 27 27 187 5 5 188 460 460 189 61 61 190 63 63 191 13 13 192 8 8 194 14 14 196 8 8 198 5 5 202 75 75 203 21 21 204 7 7 206 43 43 207 13 13 208 31 31 210 5 5 220 15 15 222 12 12 224 96 96 225 15 15 226 35 35 234 36 36 235 15 15 237 124 124 238 92 92 239 50 50 240 32 32 269 40 40 270 7 7 271 15 15 //

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