MassBank Record: JP000060



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

ACCESSION: JP000060
RECORD_TITLE: ISOAMYL 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$NAME: ISOAMYL PARA TOLUATE CH$NAME: PARA TOLUIC ACID ISOAMYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H18O2 CH$EXACT_MASS: 206.13068 CH$SMILES: CC(C)CCOC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C13H18O2/c1-10(2)8-9-15-13(14)12-6-4-11(3)5-7-12/h4-7,10H,8-9H2,1-3H3
AC$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: splash10-01bi-9800000000-93f62af651781dfa750a PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 2.55 26 29 3.16 32 39 5.23 52 41 7.9 79 42 7.96 80 43 7.23 72 55 18.91 189 63 1.64 16 65 14.1 141 69 1.16 12 70 70.15 702 71 3.53 35 89 3.16 32 90 1.95 20 91 42.55 426 92 5.47 55 93 5.53 55 119 99.99 999 120 8.88 89 136 31.61 316 137 39.21 392 138 3.4 34 //