ACCESSION: MSBNK-EPA-ENTACT_AGILENT002225
RECORD_TITLE: Benzylhexadecyldimethylammonium; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-03di-3019000000-32385346fa1db59b1562
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  58.065126 8.764753 87
  59.072951 1.238415 12
  91.054227 18.067709 180
  92.062052 6.746498 67
  268.299877 6.523958 65
  269.307702 15.381179 153
  361.370302 99.999999 999
//