MassBank Record: JP000040



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

ACCESSION: JP000040
RECORD_TITLE: BUTYL 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$NAME: BUTYL BENZOATE CH$NAME: BENZOIC ACID BUTYL ESTER 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-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: splash10-0a4i-7900000000-e982b688673f1201fce5 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 39 3.74 37 41 12.02 120 43 5.71 57 50 2.73 27 51 11.21 112 55 7.07 71 56 21.36 214 57 7.88 79 76 2.52 25 77 47.47 475 78 4.04 40 79 10.3 103 105 99.99 999 106 8.08 81 121 3.03 30 122 12.12 121 123 45.96 460 124 3.54 35 //