MassBank Record: JP009629



 ETHYL 4-CYANO-3,5-DIMETHYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009629
RECORD_TITLE: ETHYL 4-CYANO-3,5-DIMETHYLBENZOATE; 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$NAME: ETHYL 4-CYANO-3,5-DIMETHYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H13NO2 CH$EXACT_MASS: 203.09463 CH$SMILES: CCOC(=O)c(c1)cc(C)c(C#N)c(C)1 CH$IUPAC: InChI=1S/C12H13NO2/c1-4-15-12(14)10-5-8(2)11(7-13)9(3)6-10/h5-6H,4H2,1-3H3 CH$LINK: INCHIKEY PBIVJCCDRQYWSV-UHFFFAOYSA-N
AC$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: splash10-0pdi-1910000000-f55dac394cbd277e289d PK$NUM_PEAK: 42 PK$PEAK: m/z int. rel.int. 26 1 10 27 6.2 62 29 7 70 39 0.3 3 40 1.7 17 43 1 10 44 5.4 54 45 0.48 5 51 2.7 27 52 1.2 12 53 1.2 12 63 0.22 2 64 1.2 12 65 1.3 13 76 1.7 17 77 1.37 14 78 2.4 24 89 1.3 13 91 1.2 12 101 0.18 2 102 5.3 53 103 16.7 167 104 6.6 66 116 0.37 4 128 4.2 42 129 3.3 33 130 25.2 252 131 0.85 9 144 2 20 157 1.6 16 158 99.99 999 159 1.61 16 160 2 20 174 1 10 175 54.5 545 176 0.62 6 185 1.7 17 188 13 130 189 1.5 15 202 0.12 1 203 42 420 204 6 60 //

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