MassBank Record: MSJ01046



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

ACCESSION: MSJ01046
RECORD_TITLE: Xylylcarb; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (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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