ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003403
RECORD_TITLE: 1,6-DIISOPROPYLNAPHTHALENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 1,6-DIISOPROPYLNAPHTHALENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₀
CH$EXACT_MASS: 212.15650
CH$SMILES: CC(C)c(c2)cc(c1)c(c2)c(cc1)C(C)C
CH$IUPAC: InChI=1S/C16H20/c1-11(2)13-8-9-16-14(10-13)6-5-7-15(16)12(3)4/h5-12H,1-4H3
CH$LINK: INCHIKEY GQHUSRBBMNYHIF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00199120

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ot-1920000000-f21052de0fc76ef75f2e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  41 3.5 35
  54 3.8 38
  76 6.3 63
  77 6.6 66
  82 3.5 35
  83 5.9 59
  89 4.9 49
  90 0.38 4
  91 9.8 98
  127 4.2 42
  128 6.3 63
  129 0.59 6
  141 13.3 133
  152 8.8 88
  153 14 140
  154 0.63 6
  155 48.2 482
  156 7 70
  165 9.1 91
  166 0.38 4
  167 5.6 56
  169 12.6 126
  181 3.5 35
  197 99.99 999
  198 18.6 186
  212 57.7 577
  213 10.9 109
//