MassBank Record: JP000306



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

ACCESSION: JP000306
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL BENZOATE CH$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$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-014i-8900001000-4028a03d8838f48863c4 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 15 1.8 18 27 7.9 79 28 3.9 39 38 0.2 2 39 5.7 57 41 9.8 98 42 2.7 27 43 1.78 18 50 6.8 68 51 20.9 209 52 1.6 16 59 2.51 25 60 1 10 74 1.6 16 75 1.4 14 76 0.3 3 77 41.8 418 78 5.2 52 79 4.3 43 115 99.99 999 116 11.3 113 117 2.2 22 146 2 20 149 0.23 2 164 16.7 167 1650 21 210 //