MassBank Record: JP006415



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

ACCESSION: JP006415
RECORD_TITLE: BENZYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CCCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3 CH$LINK: INCHIKEY VONGZNXBKCOUHB-UHFFFAOYSA-N
AC$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: splash10-0006-9300000000-360016726e255d4d2859 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 27 12.28 123 28 1.35 14 29 2.18 22 38 1.08 11 39 12.64 126 40 1.2 12 41 13.06 131 42 2.2 22 43 32.23 322 44 1.01 10 50 2.27 23 51 8.8 88 52 2.02 20 55 1.33 13 63 3.6 36 64 1.29 13 65 15.03 150 71 26.67 267 72 1.03 10 77 11.09 111 78 2.53 25 79 10.63 106 89 6.32 63 90 18.23 182 91 99.99 999 92 8.61 86 105 2.68 27 107 7.81 78 108 79.4 794 109 6.07 61 178 21.02 210 179 2.26 23 //