MassBank Record: JP009231



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

ACCESSION: JP009231
RECORD_TITLE: ETHYL 4-OXOPENTANOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 4-OXOPENTANOATE CH$NAME: ETHYL LEVULINATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H12O3 CH$EXACT_MASS: 144.07864 CH$SMILES: CCOC(=O)CCC(C)=O CH$IUPAC: InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3 CH$LINK: INCHIKEY GMEONFUTDYJSNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8047058
AC$INSTRUMENT: HITACHI M-80B 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: splash10-0097-9100000000-e17c4b8e6a264be46500 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 15 1.9 19 26 2 20 27 10.9 109 28 0.7 7 29 15.6 156 30 1.3 13 31 1.1 11 39 0.16 2 41 1.3 13 42 5.8 58 43 99.99 999 44 0.22 2 45 8.4 84 55 11.6 116 56 7.5 75 57 0.79 8 58 1.7 17 61 1 10 71 12.4 124 72 0.13 1 73 15.4 154 74 22.6 226 75 5.3 53 98 1.13 11 99 83.4 834 100 4.9 49 101 22.7 227 102 1.88 19 103 1.4 14 129 28.3 283 130 1.8 18 144 6.8 68 //

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