MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004210
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
//