ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004202
RECORD_TITLE: DODECYLTRIMETHYLAMMONIUM 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$NAME: DODECYLTRIMETHYLAMMONIUM CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₄ClN
CH$EXACT_MASS: 263.23798
CH$SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
CH$IUPAC: InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
CH$LINK: INCHIKEY DDXLVDQZPFLQMZ-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID1026900

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$SPLASH: splash10-0a4i-9010000000-0fcc1a2779c30923c54b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45 2.77 28
  50 9.36 94
  58 99.99 999
  69 1.64 16
  71 1.57 16
  83 1.17 12
  85 1 10
  91 4.04 40
  100 0.81 8
  105 1.28 13
  114 1.09 11
  128 0.77 8
  142 0.45 5
  156 0.36 4
  170 0.36 4
  184 0.49 5
  198 0.91 9
  213 21.28 213
  228 0.36 4
//