ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002511
RECORD_TITLE: 6-PHENYL-4-METHYLTHIO-1-HEXENE; 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$NAME: 6-PHENYL-4-METHYLTHIO-1-HEXENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₈S
CH$EXACT_MASS: 206.11292
CH$SMILES: C=CCC(SC)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18S/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12/h3-6,8-9,13H,1,7,10-11H2,2H3
CH$LINK: INCHIKEY QLNCUBLOWMDGLA-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$SPLASH: splash10-014i-0920000000-390073a5c67da0f41e72
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  61 2.43 24
  91 12.36 124
  92 1.05 11
  102 9.94 99
  104 3.73 37
  117 99.99 999
  118 10.74 107
  129 1.24 12
  158 4.09 41
  165 18.07 181
  166 2.13 21
  206 39.31 393
  207 6.06 61
  208 2.25 23
//