MassBank Record: JP000056



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

ACCESSION: JP000056
RECORD_TITLE: ISOBUTYL 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$NAME: ISOBUTYL PARA TOLUATE CH$NAME: PARA TOLUIC ACID ISOBUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16O2 CH$EXACT_MASS: 192.11503 CH$SMILES: CC(C)COC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
AC$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: splash10-014r-5900000000-d1a4190378aed0939aeb PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 27 1.27 13 29 2.77 28 39 4.87 49 41 5.75 58 43 1.11 11 51 1.11 11 55 0.72 7 56 7.63 76 57 1.11 11 63 2.38 24 65 13.83 138 89 3.21 32 90 1.83 18 91 38.16 382 92 5.64 56 93 5.03 50 119 99.99 999 120 8.74 87 136 19.08 191 137 38.11 381 138 2.77 28 //