ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008572
RECORD_TITLE: PENTYL BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL BENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: CCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
CH$LINK: INCHIKEY PWATWSYOIIXYMA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022054

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-2d0366b3b374b5ee38c0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 5.65 57
  29 6.77 68
  39 7.3 73
  41 8.33 83
  43 1.09 11
  50 1.52 15
  51 4.29 43
  52 1.34 13
  57 2.54 25
  63 2.45 25
  65 12.89 129
  77 5.39 54
  78 5.75 58
  79 2.62 26
  89 2.13 21
  90 1.26 13
  91 99.99 999
  92 66.52 665
  93 4.25 43
  103 2.4 24
  104 1.8 18
  105 8.06 81
  106 1.66 17
  115 1.47 15
  117 1.14 11
  119 1.43 14
  133 1.49 15
  148 23.23 232
  149 2.29 23
//