ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001544
RECORD_TITLE: TERT-PENTYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TERT-PENTYLBENZENE
CH$NAME: (1.1-DIMETHYLPROPYL)BENZENE
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014l-8900000000-725fcbc7b1c28745e130
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  27 4.91 49
  29 3.83 38
  39 7.63 76
  41 16.16 162
  43 1.49 15
  50 1.98 20
  51 6.07 61
  52 1.57 16
  53 1.8 18
  55 4.19 42
  63 2.21 22
  65 4.01 40
  75 1.04 10
  76 1.1 11
  77 9.38 94
  78 4.36 44
  79 8.4 84
  91 57.37 574
  92 4.7 47
  102 1.39 14
  103 5.09 51
  104 1.8 18
  105 6.25 63
  115 4.01 40
  116 1.22 12
  117 3.25 33
  118 2.35 24
  119 99.99 999
  120 10.2 102
  133 3.01 30
  148 16.86 169
  149 2.15 22
//