MassBank Record: JP009651



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

ACCESSION: JP009651
RECORD_TITLE: ETHYL 4-METHYLBENZOATE; 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$NAME: ETHYL 4-METHYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: CCOC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 CH$LINK: INCHIKEY NWPWRAWAUYIELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5048211
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$SPLASH: splash10-014i-2900000000-b28e05aa8e3adaeba98b PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 29 1.5 15 65 8 80 89 1.1 11 90 0.17 2 91 30.1 301 92 3.7 37 105 1.4 14 119 99.99 999 120 12.1 121 136 31.9 319 137 2.8 28 149 0.37 4 163 1.4 14 164 37.2 372 165 4.2 42 //

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