MassBank Record: JP002270



 1-PHENYL-3-OCTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002270
RECORD_TITLE: 1-PHENYL-3-OCTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1-PHENYL-3-OCTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O CH$EXACT_MASS: 204.15142 CH$SMILES: CCCCCC(=O)CCc(c1)cccc1 CH$IUPAC: InChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
AC$INSTRUMENT: JEOL JMS-D-3000 AC$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$SPLASH: splash10-0006-9400000000-1878c561a8c244284d9d PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41 23.22 232 42 5.27 53 43 99.99 999 44 5.12 51 51 11.61 116 55 16.28 163 65 12.51 125 71 47.2 472 77 21.26 213 78 9.8 98 79 10.4 104 80 16.13 161 81 18.7 187 82 5.58 56 91 98.34 983 92 10.55 106 99 40.42 404 103 16.13 161 104 32.12 321 105 78.12 781 106 8.59 86 130 26.24 262 131 19.6 196 133 30.92 309 146 7.54 75 148 21.11 211 204 11.01 110 //