ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012166
RECORD_TITLE: 2,2,4,4,6,8,8-HEPTAMETHYLNONANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2,2,4,4,6,8,8-HEPTAMETHYLNONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄
CH$EXACT_MASS: 226.26605
CH$SMILES: CC(C)(C)CC(C)CC(C)(C)CC(C)(C)C
CH$IUPAC: InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
CH$LINK: CAS 4390-04-9
CH$LINK: INCHIKEY VCLJODPNBNEBKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7052101

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0bt9-7900000000-11ace4ec8d2f66f2a3a7
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57 96.91 969
  58 6.34 63
  71 22.33 223
  83 4 40
  85 39.23 392
  86 3.45 35
  99 47.26 473
  100 3.54 35
  112 5.05 51
  113 99.99 999
  114 9.85 99
  127 32.55 326
  128 4.04 40
  141 20.94 209
  142 3.84 38
  155 49.15 492
  156 6.7 67
  169 12.55 126
  177 3.02 30
  184 4.1 41
  211 5.7 57
//