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MassBank Record: MSBNK-MSSJ-MSJ01079

Allidochlor; GC-EI-Q; MS; Positive; M+*

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-MSSJ-MSJ01079
RECORD_TITLE: Allidochlor; 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$NAME: Allidochlor
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C8H12ClNO
CH$EXACT_MASS: 173.06074
CH$SMILES: C=CCN(CC=C)C(=O)CCl
CH$IUPAC: InChI=1S/C8H12ClNO/c1-3-5-10(6-4-2)8(11)7-9/h3-4H,1-2,5-7H2
CH$LINK: INCHIKEY MDBGGTQNNUOQRC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7157
CH$LINK: COMPTOX DTXSID2041591

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 4.58 min

MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 173.06

PK$SPLASH: splash10-0006-9200000000-0926186d1975a0fc92b4
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  40 44 44
  41 999 999
  42 147 147
  43 63 63
  49 72 72
  51 27 27
  52 7 7
  53 22 22
  54 59 59
  55 66 66
  56 530 530
  57 35 35
  58 7 7
  67 33 33
  68 83 83
  69 36 36
  70 246 246
  71 13 13
  76 15 15
  77 85 85
  78 11 11
  79 56 56
  80 52 52
  81 88 88
  82 103 103
  83 28 28
  84 25 25
  93 7 7
  94 29 29
  95 11 11
  96 115 115
  97 21 21
  98 27 27
  106 7 7
  107 17 17
  108 12 12
  109 9 9
  110 30 30
  118 5 5
  124 81 81
  125 7 7
  130 11 11
  131 9 9
  132 232 232
  133 16 16
  134 76 76
  137 6 6
  138 277 277
  139 31 31
  144 5 5
  145 11 11
  146 11 11
  158 17 17
  160 5 5
  173 21 21
  175 5 5
//

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