MassBank Record: JP001510



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

ACCESSION: JP001510
RECORD_TITLE: HEXYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18O2 CH$EXACT_MASS: 206.13068 CH$SMILES: CCCCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0bt9-9800000000-a0160de2555213049374 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 27 8.95 90 28 2.34 23 29 8.99 90 39 5.55 56 40 1.02 10 41 14.72 147 42 11.19 112 43 13.45 135 50 3.97 40 51 15.55 156 52 1.32 13 53 1.19 12 54 1.76 18 55 13.97 140 56 28.24 282 57 2.2 22 67 1.06 11 69 10 100 70 1.02 10 74 1.07 11 75 1.23 12 76 3.09 31 77 49.83 498 78 4.23 42 79 7.8 78 83 1.9 19 84 20.01 200 85 1.86 19 105 99.99 999 106 8.59 86 112 16.17 162 113 93.75 938 114 7.28 73 206 2.65 27 //