MassBank Record: JP009661



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

ACCESSION: JP009661
RECORD_TITLE: ETHYL 4-ACETYLBENZOATE; 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$NAME: ETHYL 4-ACETYLBENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12O3 CH$EXACT_MASS: 192.07864 CH$SMILES: CCOC(=O)c(c1)ccc(C(C)=O)c1 CH$IUPAC: InChI=1S/C11H12O3/c1-3-14-11(13)10-6-4-9(5-7-10)8(2)12/h4-7H,3H2,1-2H3 CH$LINK: INCHIKEY GLOAPLPTWAXAIG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90344980
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$SPLASH: splash10-004l-5900000000-361dc600187923d66195 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 26 1.8 18 27 9.5 95 29 10.4 104 39 0.37 4 40 1.4 14 42 1 10 43 26.1 261 44 0.17 2 45 1.8 18 50 12.7 127 51 6 60 52 0.16 2 53 1 10 63 2.9 29 65 14.7 147 66 0.28 3 74 4.2 42 75 7.1 71 76 20.2 202 77 0.81 8 89 2.5 25 90 1.9 19 91 11.5 115 93 0.14 1 103 5.9 59 104 15.1 151 105 2.8 28 107 0.1 1 119 6 60 120 1.6 16 121 9.1 91 122 0.16 2 132 1.4 14 147 36 360 148 4 40 149 3.5 35 150 3.3 33 164 2.2 22 177 99.99 999 178 1.14 11 179 1.1 11 192 39.3 393 193 4.9 49 //

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