ACCESSION: MSBNK-EPA-ENTACT_AGILENT001331
RECORD_TITLE: N,Dimethyloctadecylbenzylammonium; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N,Dimethyloctadecylbenzylammonium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₇H₅₀N⁺
CH$EXACT_MASS: 388.3943256024
CH$SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1
CH$IUPAC: InChI=1S/C27H50N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27/h19-21,23-24H,4-18,22,25-26H2,1-3H3/q+1
CH$LINK: CAS 37612-69-4
CH$LINK: INCHIKEY FWLORMQUOWCQPO-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 389.4016020541
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-1019000000-10eca95a6fb5cacb891b
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  58.065126 5.874316 58
  91.054227 11.072188 110
  92.062052 3.620633 36
  296.331177 3.590497 35
  297.339002 10.400939 103
  389.401602 100.000005 999
//