MassBank Record: JP007172



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

ACCESSION: JP007172
RECORD_TITLE: BENZYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CC(C)C(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 CH$LINK: INCHIKEY UIKJRDSCEYGECG-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-b537162bf87c98d73dae PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 8.3 83 39 10.2 102 41 10.26 103 42 1.22 12 43 32.62 326 50 1.54 15 51 6.23 62 52 1.39 14 63 2.64 26 65 11.91 119 71 13.56 136 77 7.48 75 78 1.49 15 79 4.99 50 89 3.75 38 90 7.16 72 91 99.99 999 92 7.72 77 105 1.61 16 107 2.87 29 108 21.65 217 109 1.28 13 178 14.94 149 179 1.52 15 //