ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004209
RECORD_TITLE: TRIMETHYLTETRADECYLAMMONIUM 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$NAME: TRIMETHYLTETRADECYLAMMONIUM BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₈BrN
CH$EXACT_MASS: 335.21876
CH$SMILES: CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
CH$IUPAC: InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
CH$LINK: INCHIKEY CXRFDZFCGOPDTD-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID0044367

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$SPLASH: splash10-0a4i-9100000000-77809f80700044a91b07
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  59 99.99 999
  69 1.29 13
  71 2.53 25
  79 7.47 75
  84 12.27 123
  94 13.33 133
  100 3.87 39
  114 4.67 47
  128 3.07 31
  135 4.4 44
  142 1.47 15
  156 1.13 11
  170 1.17 12
  184 1.28 13
  198 0.97 10
  212 0.77 8
  226 1.73 17
  241 11.73 117
  256 0.28 3
//