MassBank Record: JP009597



 ETHYL 4-CHLOROBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009597
RECORD_TITLE: ETHYL 4-CHLOROBENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-CHLOROBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H9ClO2 CH$EXACT_MASS: 184.02911 CH$SMILES: CCOC(=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 CH$LINK: INCHIKEY RWBYCMPOFNRISR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9064631
AC$INSTRUMENT: JEOL JMS-DX-300 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-3900000000-86b6e5da9317d475b405 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 26 1.2 12 27 8 80 29 10 100 43 0.15 2 45 4.2 42 50 10.1 101 51 4.9 49 65 0.19 2 73 1 10 74 5.7 57 75 29 290 76 0.88 9 77 3 30 85 3.1 31 87 1 10 103 0.1 1 104 3.6 36 105 1.5 15 110 1.2 12 111 3.77 38 112 3.8 38 113 12.7 127 139 99.99 999 140 1.15 12 141 34.8 348 142 3.6 36 149 3.6 36 156 3.98 40 157 3.2 32 158 13.4 134 169 1.7 17 183 0.1 1 184 26.5 265 185 3 30 186 9 90 //

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