MassBank Record: JP002271



 3-BENZYL-2-HEPTANONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002271
RECORD_TITLE: 3-BENZYL-2-HEPTANONE; 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$NAME: 3-BENZYL-2-HEPTANONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H20O CH$EXACT_MASS: 204.15142 CH$SMILES: CCCCC(C(C)=O)Cc(c1)cccc1 CH$IUPAC: InChI=1S/C14H20O/c1-3-4-10-14(12(2)15)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
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$SPLASH: splash10-0005-7900000000-2fabac8b7786a1c2d99e PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 41 6.66 67 43 34.67 347 51 1.85 19 55 3.69 37 57 1.62 16 65 7.19 72 71 2.28 23 77 3.24 32 78 2.63 26 79 1.59 16 85 2.28 23 91 96.12 961 92 9.55 96 103 2.03 20 104 5.13 51 105 13.08 131 115 3.38 34 117 6.75 68 119 2.82 28 129 6.74 67 133 3.54 35 143 1.55 16 147 99.99 999 148 43.76 438 149 4.74 47 161 4.13 41 189 2.24 22 204 6.63 66 //