ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004641
RECORD_TITLE: (6-METHYLHEPTYL)BENZENE; 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$NAME: (6-METHYLHEPTYL)BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₂
CH$EXACT_MASS: 190.17215
CH$SMILES: CC(C)CCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C14H22/c1-13(2)9-5-3-6-10-14-11-7-4-8-12-14/h4,7-8,11-13H,3,5-6,9-10H2,1-2H3
CH$LINK: INCHIKEY TUFDHHZZUWXWRD-UHFFFAOYSA-N

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 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-3900000000-a45481f4935fb2d58589
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57 4.1 41
  92 43.4 434
  93 7.5 75
  105 0.75 8
  119 3.2 32
  123 10.6 106
  124 10.6 106
  190 99.99 999
  191 13.8 138
//