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MassBank Record: MSBNK-MSSJ-MSJ01046

Xylylcarb; GC-EI-Q; MS; Positive

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

ACCESSION: MSBNK-MSSJ-MSJ01046
RECORD_TITLE: Xylylcarb; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.16)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Xylylcarb
CH$NAME: MPMC
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CC1=C(C=C(C=C1)OC(=O)NC)C
CH$IUPAC: InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)
CH$LINK: INCHIKEY WCJYTPVNMWIZCG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17040
CH$LINK: COMPTOX DTXSID3058032

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 6.73 min

PK$SPLASH: splash10-05fr-3900000000-e9f88836bc146dd3a5fa
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  40 8 8
  41 24 24
  43 7 7
  44 13 13
  45 7 7
  50 11 11
  51 39 39
  52 15 15
  53 29 29
  54 5 5
  55 21 21
  56 67 67
  57 149 149
  58 36 36
  60 7 7
  63 11 11
  64 7 7
  65 35 35
  66 7 7
  67 12 12
  75 5 5
  76 5 5
  77 155 155
  78 35 35
  79 61 61
  89 4 4
  91 97 97
  92 16 16
  93 24 24
  94 12 12
  103 16 16
  104 13 13
  105 19 19
  106 13 13
  107 684 684
  108 53 53
  119 5 5
  120 12 12
  121 242 242
  122 999 999
  123 85 85
  124 5 5
  179 17 17
//

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