ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004642
RECORD_TITLE: HEXYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEXYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈
CH$EXACT_MASS: 162.14085
CH$SMILES: CCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3
CH$LINK: INCHIKEY LTEQMZWBSYACLV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061476

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9300000000-60b0e417f2338a3d7969
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  92 99.99 999
  105 5.6 56
  119 6.3 63
  133 1.29 13
  160 3.5 35
  162 12.9 129
  163 7 70
  164 2.8 28
//