MassBank Record: JP002255



 4-PHENYL-6-HEPTYN-2-ONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002255
RECORD_TITLE: 4-PHENYL-6-HEPTYN-2-ONE; 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$NAME: 4-PHENYL-6-HEPTYN-2-ONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H14O CH$EXACT_MASS: 186.10447 CH$SMILES: C#CCC(CC(C)=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H14O/c1-3-7-13(10-11(2)14)12-8-5-4-6-9-12/h1,4-6,8-9,13H,7,10H2,2H3
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$SPLASH: splash10-0006-9600000000-81a6b4279cd6aa18342c PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 43 99.99 999 50 1.24 12 51 4.1 41 52 1.19 12 63 1.99 20 65 1.62 16 67 1.27 13 75 1 10 77 5.17 52 78 2.8 28 91 3.4 34 102 1.58 16 103 3.36 34 104 2.65 27 105 1.54 15 115 2.01 20 127 2.99 30 128 36.7 367 129 7.38 74 141 1.11 11 142 1.3 13 143 17.52 175 144 4.77 48 147 3.36 34 186 0.8 8 //