MassBank Record: JP001509



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

ACCESSION: JP001509
RECORD_TITLE: PROPYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL BENZOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12O2 CH$EXACT_MASS: 164.08373 CH$SMILES: CCCOC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
AC$INSTRUMENT: HITACHI RMU-6M AC$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$SPLASH: splash10-0ab9-5900000000-9bb9653d1a55e70922dd PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 27 8.06 81 28 1.1 11 29 1.65 17 39 4.05 41 41 4.99 50 42 2.64 26 43 3.19 32 50 6.23 62 51 19.2 192 52 1.5 15 59 2.25 23 74 1.65 17 75 1.43 14 76 2.97 30 77 45.35 454 79 3.67 37 105 99.99 999 106 8.94 89 107 1.06 11 122 27.25 273 123 42.49 425 124 3.59 36 135 1.65 17 164 3.52 35 //