ACCESSION: MSBNK-EPA-ENTACT_AGILENT002224
RECORD_TITLE: Benzylhexadecyldimethylammonium; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Benzylhexadecyldimethylammonium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₆N⁺
CH$EXACT_MASS: 360.3630254748
CH$SMILES: CCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1
CH$IUPAC: InChI=1S/C25H46N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25/h17-19,21-22H,4-16,20,23-24H2,1-3H3/q+1
CH$LINK: CAS 10328-34-4
CH$LINK: INCHIKEY QDYLMAYUEZBUFO-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$FOCUSED_ION: PRECURSOR_M/Z 361.3703019265
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-200b17c1132a8b8c84f5
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.054227 2.039043 20
  44.049476 2.076549 20
  57.069877 1.96555 19
  58.065126 52.464186 524
  59.072951 7.7555 77
  65.038577 2.856843 28
  91.054227 100.000003 999
  92.062052 37.247974 372
  268.299877 3.726893 37
  269.307702 9.465375 94
//