ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004210
RECORD_TITLE: HEXADECYLPYRIDINIUM 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$NAME: HEXADECYLPYRIDINIUM BROMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₃₈BrN
CH$EXACT_MASS: 383.21876
CH$SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]
CH$IUPAC: InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
CH$LINK: INCHIKEY DVBJBNKEBPCGSY-UHFFFAOYSA-M
CH$LINK: COMPTOX DTXSID3033307

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$SPLASH: splash10-002s-9810000000-ad4a2620eb746ba44049
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  43 37.04 370
  52 25.93 259
  55 22.22 222
  69 37.04 370
  79 59.26 593
  83 29.63 296
  93 17.78 178
  97 27.78 278
  106 18.52 185
  111 12.04 120
  120 12.04 120
  127 17.22 172
  135 99.99 999
  141 13.7 137
  149 27.78 278
  155 12.04 120
  163 11.67 117
  169 8.7 87
  177 6.11 61
  191 5.19 52
  204 4.81 48
  218 5.19 52
  225 11.11 111
  232 4.26 43
  246 4.26 43
  260 3.89 39
  276 10.74 107
  290 4.26 43
  330 8.15 82
  381 3.89 39
  527 7.41 74
  607 8.7 87
  683 0.52 5
  754 0.22 2
  828 0.26 3
//