ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004198
RECORD_TITLE: TETRAISOAMYLAMMONIUM IODIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ISA K, DEPT. OF CHEM., FAC. OF EDUC., FUKUI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TETRAISOAMYLAMMONIUM IODIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₄IN
CH$EXACT_MASS: 425.25184
CH$SMILES: CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C.[I-]
CH$IUPAC: InChI=1S/C20H44N.HI/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;/h17-20H,9-16H2,1-8H3;1H/q+1;/p-1
CH$LINK: INCHIKEY BMKCBSPIAGPRBW-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID00883491

AC$INSTRUMENT: JEOL JMS-01-SG
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-0900000000-e3c05e42e1c2bf880309
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  71 7.91 79
  98 5.35 54
  100 2.79 28
  114 27.91 279
  127 15.12 151
  128 23.26 233
  154 1.05 11
  156 1.74 17
  170 99.99 999
  171 16.28 163
  198 0.58 6
  226 1.51 15
  227 6.05 61
  228 1.12 11
  254 0.53 5
  298 0.42 4
  424 0.02 0
  425 0.1 1
  723 0.01 0
  724 0.01 0
//