MassBank Record: JP004770



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

ACCESSION: JP004770
RECORD_TITLE: ETHYL 4-OXO-2-PHENYLPENTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-OXO-2-PHENYLPENTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H16O3 CH$EXACT_MASS: 220.10994 CH$SMILES: CCOC(=O)C(CC(C)=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H16O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3 CH$LINK: INCHIKEY MPTUXQOIIUTVGD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60285816
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-0a4i-5390000000-920861c86a9c8d13051f PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 40 8.69 87 53 6.14 61 56 30.15 302 57 1.72 17 67 6.71 67 69 2.28 23 77 2.39 24 79 1.88 19 80 1.79 18 81 10.02 100 91 4.4 44 95 6.26 63 105 6.44 64 115 2.69 27 119 3.56 36 121 3.08 31 128 2.25 23 129 2.37 24 131 3.42 34 133 2.13 21 145 11.68 117 149 2.25 23 161 3.97 40 163 2.11 21 177 7.09 71 189 3.65 37 205 99.99 999 206 16 160 220 26.72 267 221 4.5 45 //

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