ACCESSION: MSBNK-EPA-ENTACT_AGILENT001330
RECORD_TITLE: N,Dimethyloctadecylbenzylammonium; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-ad0dba7d862951b4d3bd
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.054227 1.750254 17
  44.049476 1.612386 16
  57.069877 2.387592 23
  58.065126 54.820479 547
  59.072951 7.487058 74
  65.038577 2.323567 23
  91.054227 99.999999 999
  92.062052 31.695846 316
  296.331177 4.781871 47
  297.339002 13.438345 134
//