MassBank Record: JP009726



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

ACCESSION: JP009726
RECORD_TITLE: BENZOIC ACID BUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HASHIMOTO KKYOTO COLLEGE OF PHARMACY, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: BENZOIC ACID BUTYL ESTER CH$NAME: BUTYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CCCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 CH$LINK: INCHIKEY XSIFPSYPOVKYCO-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-2900000000-cfe269ed8f7f82c0ea4e PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 29 2.4 24 41 4.62 46 55 2.36 24 56 25.17 252 57 1.6 16 77 20.58 206 78 2.19 22 79 7.06 71 105 99.99 999 106 8.83 88 107 1 10 122 22.48 225 123 92.53 925 124 7.28 73 135 1.75 18 178 3.1 31 179 0.6 6 //