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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002223

Benzylhexadecyldimethylammonium; ESI-QTOF; MS2; CE: 10; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002223
RECORD_TITLE: Benzylhexadecyldimethylammonium; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-03di-0009000000-b4bea6db8e94625728b7
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  58.065126 1.084619 10
  91.054227 2.054466 20
  269.307702 1.49236 14
  361.370302 99.999999 999
//

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