MassBank Record: JP000076



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

ACCESSION: JP000076
RECORD_TITLE: ISOBUTYL SALICYLATE; 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$NAME: ISOBUTYL SALICYLATE CH$NAME: ISOBUTYL ORTHO HYDROXY BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H14O3 CH$EXACT_MASS: 194.09429 CH$SMILES: CC(C)COC(=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
AC$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: splash10-00di-5900000000-858c13ec812ab5cbdca8 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 3.25 33 29 14.15 142 38 1.07 11 39 12.79 128 41 16.6 166 43 1.02 10 53 2.03 20 55 1.02 10 56 2.28 23 57 10.36 104 63 3.3 33 64 4.16 42 65 14.16 142 92 17.21 172 93 8.58 86 120 99.99 999 121 33.25 333 122 2.94 29 138 28.88 289 139 2.54 25 194 6.35 64 195 0.91 9 //