MassBank Record: JP000054



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

ACCESSION: JP000054
RECORD_TITLE: BUTYL 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$NAME: BUTYL PARA TOLUATE CH$NAME: PARA TOLUIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CCCCOC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
AC$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: splash10-014u-6900000000-17c8d14576c74772204b PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 27 7.02 70 29 11.89 119 39 11.89 119 41 13.2 132 50 1.19 12 51 2.5 25 55 2.26 23 56 11.89 119 63 4.52 45 65 22.35 224 89 3.57 36 90 2.5 25 91 50.18 502 92 5.95 60 93 3.33 33 119 99.99 999 120 8.44 84 136 57.67 577 137 29.37 294 138 2.02 20 192 1.55 16 //