ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004201
RECORD_TITLE: HEXADECYLTRIMETHYLAMMONIUM 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$NAME: HEXADECYLTRIMETHYLAMMONIUM BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₄₂BrN
CH$EXACT_MASS: 363.25006
CH$SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
CH$IUPAC: InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
CH$LINK: INCHIKEY LZZYPRNAOMGNLH-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID5037028

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$SPLASH: splash10-0a4i-9000000000-49421034d5206dcf9f38
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  43 5.56 56
  59 99.99 999
  69 2.33 23
  71 2.28 23
  84 1.22 12
  94 3 30
  100 0.92 9
  114 1.17 12
  128 0.51 5
  135 1.11 11
  142 0.27 3
  156 0.28 3
  170 0.24 2
  184 0.21 2
  198 0.21 2
  212 0.28 3
  226 0.21 2
  240 0.26 3
  254 0.42 4
  269 2.61 26
  284 0.17 2
//