ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004203
RECORD_TITLE: ETHYLHEXADECYLDIMETHYLAMMONIUM BROMIDE; 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$NAME: ETHYLHEXADECYLDIMETHYLAMMONIUM BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₄₄BrN
CH$EXACT_MASS: 377.26571
CH$SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-]
CH$IUPAC: InChI=1S/C20H44N.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;/h5-20H2,1-4H3;1H/q+1;/p-1
CH$LINK: COMPTOX DTXSID2041759
CH$LINK: INCHIKEY VUFOSBDICLTFMS-UHFFFAOYSA-M
CH$LINK: PUBCHEM CID:31280

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$SPLASH: splash10-00di-9010000000-58af79e29f505a4b0cb0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  43 1.92 19
  44 2.75 28
  58 36.67 367
  73 99.99 999
  79 2.5 25
  80 2.5 25
  83 6.5 65
  84 6.5 65
  96 7.58 76
  98 8.33 83
  108 1.42 14
  114 1.5 15
  128 1.67 17
  135 3.42 34
  140 0.8 8
  142 1.5 15
  154 0.83 8
  168 0.62 6
  182 0.43 4
  196 0.4 4
  212 0.51 5
  226 0.48 5
  240 0.51 5
  254 1.17 12
  268 6.5 65
  282 3.58 36
  283 3.58 36
  298 4.33 43
  304 0.05 1
  306 0.05 1
//