MassBank Record: JP006438



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

ACCESSION: JP006438
RECORD_TITLE: BENZYL OCTANOATE; 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$NAME: BENZYL OCTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H22O2 CH$EXACT_MASS: 234.16198 CH$SMILES: CCCCCCCC(=O)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C15H22O2/c1-2-3-4-5-9-12-15(16)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3 CH$LINK: INCHIKEY MWQWCHLIPMDVLS-UHFFFAOYSA-N
AC$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: splash10-052f-9300000000-bcfcb7c152aa41154ff4 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 6.47 65 29 8.37 84 39 6.97 70 41 15.92 159 42 3.69 37 43 13.33 133 51 2.59 26 53 1.04 10 55 11.13 111 56 1.38 14 57 27.03 270 58 1.01 10 63 1.46 15 65 10.4 104 67 1.1 11 69 1.28 13 77 6.49 65 78 1.34 13 79 6.06 61 83 8.14 81 89 2.82 28 90 9.15 92 91 99.99 999 92 22.9 229 93 1.22 12 97 7.44 74 105 2.01 20 107 6.23 62 108 58.45 585 109 5.25 53 124 1.27 13 125 9.95 100 127 10.82 108 143 7.96 80 234 4.44 44 //