ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY BYUGDDFTCNVKKD-UHFFFAOYSA-N

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
//