MassBank Record: JP000072



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

ACCESSION: JP000072
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL SALICYLATE CH$NAME: ISOPROPYL ORTHO HYDROXY BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O3 CH$EXACT_MASS: 180.07864 CH$SMILES: CC(C)OC(=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
AC$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-3900000000-73c20d9d74a85b8cca92 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 27 3.45 35 39 8.9 89 41 5.58 56 43 6.39 64 59 0.63 6 63 2.82 28 64 4.51 45 65 9.15 92 92 24.33 243 93 5.96 60 120 99.99 999 121 28.97 290 122 1.88 19 138 31.66 317 139 2.63 26 180 12.79 128 181 1.32 13 //