MassBank Record: JP000039



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

ACCESSION: JP000039
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL BENZOATE CH$NAME: BENZOIC ACID ISOPROPYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: CC(C)OC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3
AC$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-9800000000-c5884ecd37b756d09356 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 8.93 89 39 6.55 66 41 12.27 123 42 3.34 33 43 22.57 226 50 6.91 69 51 22.75 228 52 1.37 14 59 23.59 236 76 2.5 25 77 45.86 459 78 5.78 58 79 4.65 47 105 99.99 999 106 10.24 102 122 16.02 160 123 25.61 256 124 1.79 18 146 1.73 17 149 1.67 17 164 5.78 58 165 0.6 6 //