MassBank Record: JP000070



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

ACCESSION: JP000070
RECORD_TITLE: PROPYL 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$NAME: PROPYL SALICYLATE CH$NAME: PROPYL ORTHO HYDROXY BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O3 CH$EXACT_MASS: 180.07864 CH$SMILES: CCCOC(=O)c(c1)c(O)ccc1 CH$IUPAC: InChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
AC$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-3900000000-4d485882d11bb426bbdf PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 27 4.09 41 39 8.17 82 41 2.75 28 43 1.42 14 63 2.66 27 64 3.55 36 65 9.68 97 92 19.89 199 93 7.02 70 120 99.99 999 121 26.73 267 122 2.04 20 138 18.56 186 139 1.24 12 180 15.45 155 181 1.6 16 //