MassBank Record: JP000307



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

ACCESSION: JP000307
RECORD_TITLE: BUTYL 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$NAME: BUTYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CC(C)COC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
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$SPLASH: splash10-0a4i-7900000000-be55c34d6b9d10825640 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 27 6.8 68 28 2.1 21 29 8.3 83 31 0.13 1 39 4.1 41 41 9.9 99 43 1.7 17 50 0.49 5 51 17.4 174 52 1.2 12 55 3.8 38 56 2.74 27 57 2.3 23 74 1.2 12 75 1.1 11 76 0.27 3 77 46.1 461 78 4.2 42 79 7.7 77 105 99.99 999 106 8.9 89 107 1 10 122 19.9 199 123 7.49 75 124 6 60 135 1.6 16 178 5.3 53 179 1.4 14 //