MassBank Record: MSJ01044



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

ACCESSION: MSJ01044
RECORD_TITLE: MCPB methyl ester; 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$NAME: MCPB methyl ester CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H15ClO3 CH$EXACT_MASS: 242.07097 CH$SMILES: CC1=C(C=CC(=C1)Cl)OCCCC(=O)OC CH$IUPAC: InChI=1S/C12H15ClO3/c1-9-8-10(13)5-6-11(9)16-7-3-4-12(14)15-2/h5-6,8H,3-4,7H2,1-2H3 CH$LINK: INCHIKEY FWDQLSHRVKQKBS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:521798 CH$LINK: COMPTOX DTXSID30205788
AC$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 8.29 min
PK$SPLASH: splash10-0zfr-8900000000-3a81e75691dfbcd9c35c PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 40 8 8 41 156 156 42 45 45 43 11 11 45 13 13 50 9 9 51 44 44 52 13 13 53 6 6 55 8 8 59 709 709 60 19 19 63 23 23 65 7 7 69 135 135 70 7 7 71 8 8 73 15 15 74 11 11 75 13 13 76 5 5 77 177 177 78 30 30 79 21 21 85 5 5 89 64 64 90 14 14 91 15 15 99 17 17 100 7 7 101 999 999 102 59 59 103 7 7 105 11 11 107 169 169 108 12 12 112 7 7 113 15 15 115 7 7 124 4 4 125 50 50 127 18 18 141 40 40 142 118 118 143 26 26 144 37 37 146 5 5 155 27 27 157 10 10 193 13 13 211 53 53 212 5 5 213 16 16 242 47 47 243 6 6 244 15 15 //

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