ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009117
RECORD_TITLE: TERT-PENTYLBENZENE; 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$NAME: TERT-PENTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₆
CH$EXACT_MASS: 148.12520
CH$SMILES: CCC(C)(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H16/c1-4-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
CH$LINK: INCHIKEY QHTJSSMHBLGUHV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7051848

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$SPLASH: splash10-014l-8900000000-a9bc879220822760a7a7
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 5.22 52
  28 1.41 14
  29 4.31 43
  39 5.81 58
  41 14.89 149
  43 1.4 14
  50 2.03 20
  51 5.29 53
  52 1.57 16
  53 1.59 16
  55 3.14 31
  63 2.28 23
  65 3.4 34
  76 1.18 12
  77 8.23 82
  78 4.5 45
  79 7.01 70
  89 1.22 12
  91 63.99 640
  92 4.23 42
  102 1.31 13
  103 5.72 57
  104 2.02 20
  105 3.57 36
  115 4.67 47
  116 1.27 13
  117 3.23 32
  118 2.31 23
  119 99.99 999
  120 8.76 88
  133 2.29 23
  148 13.62 136
  149 1.35 14
//