MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004209
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
//
system version 2.2.8-SNAPSHOT