ACCESSION: MSBNK-MSSJ-MSJ01078
RECORD_TITLE: Alachlor; 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$NAME: Alachlor
CH$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
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  187 5 5
  188 460 460
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  190 63 63
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  196 8 8
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  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
//