MassBank Record: JP000051



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

ACCESSION: JP000051
RECORD_TITLE: ISOPROPYL PARA TOLUATE; 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$NAME: ISOPROPYL PARA TOLUATE CH$NAME: PARA TOLUIC ACID ISOPROPYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O2 CH$EXACT_MASS: 178.09938 CH$SMILES: CC(C)OC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C11H14O2/c1-8(2)13-11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3
AC$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: splash10-014i-5900000000-1f2d95620c2768a08500 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 27 2.66 27 39 5 50 41 6.46 65 43 9.77 98 51 1.21 12 59 18.56 186 63 2.1 21 65 12.27 123 89 2.66 27 90 1.78 18 91 43.18 432 92 7.18 72 93 1.21 12 119 99.99 999 120 14.37 144 121 1.05 11 136 42.62 426 137 7.75 78 163 2.5 25 178 9.77 98 179 0.89 9 //