ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004200
RECORD_TITLE: TRIMETHYLOCTADECYLAMMONIUM CHLORIDE; 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$NAME: TRIMETHYLOCTADECYLAMMONIUM CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₆ClN
CH$EXACT_MASS: 347.33188
CH$SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
CH$IUPAC: InChI=1S/C21H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1
CH$LINK: INCHIKEY VBIIFPGSPJYLRR-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID1026902

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$SPLASH: splash10-0a4i-9000000000-84ffbf00156f9749624f
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 0.71 7
  18 1.67 17
  29 1.67 17
  35 0.33 3
  36 0.33 3
  43 3.81 38
  50 7.62 76
  59 99.99 999
  69 1.29 13
  71 3.1 31
  84 2.38 24
  91 1.02 10
  97 1.17 12
  100 0.91 9
  114 1.17 12
  128 0.71 7
  142 0.38 4
  156 0.33 3
  170 0.29 3
  184 0.26 3
  198 0.26 3
  212 0.31 3
  226 0.29 3
  240 0.29 3
  254 0.23 2
  268 0.31 3
  282 0.45 5
  297 11.19 112
  312 0.02 0
//