MassBank Record: JP001840



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

ACCESSION: JP001840
RECORD_TITLE: NONYL-BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: NONYL-BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C16H24O2 CH$EXACT_MASS: 248.17763 CH$SMILES: CCCCCCCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C16H24O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
AC$INSTRUMENT: HITACHI RMU-7M AC$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$SPLASH: splash10-0ab9-9500000000-63c13dcf2bc7db2ee6e8 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 27 1.15 12 29 2.95 30 39 2.71 27 41 15.25 153 42 5.79 58 43 14.89 149 50 1.75 18 51 9.1 91 53 1.21 12 54 2.41 24 55 21.76 218 56 26.4 264 57 9.89 99 67 3.01 30 68 4.76 48 69 20.37 204 70 25.02 250 71 7.17 72 76 1.99 20 77 55.27 553 78 4.28 43 79 13.2 132 82 5.73 57 83 15.07 151 84 15.43 154 85 3.92 39 96 2.77 28 97 15.31 153 98 10.31 103 105 99.99 999 106 7.9 79 122 9.52 95 123 79.08 791 124 5.79 58 126 7.11 71 //