MassBank Record: JP009637



 ETHYL 2,4,6-TRIMETHYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009637
RECORD_TITLE: ETHYL 2,4,6-TRIMETHYLBENZOATE; 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$NAME: ETHYL 2,4,6-TRIMETHYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCOC(=O)c(c(C)1)c(C)cc(C)c1 CH$IUPAC: InChI=1S/C12H16O2/c1-5-14-12(13)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3 CH$LINK: INCHIKEY ZXTXIZPSMQCYBN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60169980
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$SPLASH: splash10-0002-1900000000-9c887d7252a1c267ec5a PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 3.9 39 29 4.1 41 39 3.8 38 41 0.58 6 43 1.4 14 51 3.1 31 52 1.2 12 53 0.21 2 63 1.7 17 65 3.5 35 77 7.7 77 78 0.28 3 79 3.1 31 91 14.6 146 92 1.5 15 93 0.1 1 103 5.2 52 104 3.1 31 105 2.8 28 107 0.14 1 115 4.7 47 116 1.1 11 117 7.7 77 118 0.72 7 119 20.2 202 120 3.1 31 146 75.5 755 147 99.99 999 148 12.2 122 149 1.3 13 163 21 210 164 0.5 5 177 2.7 27 192 52.3 523 193 7 70 //

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