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MassBank Record: MSBNK-EPA-ENTACT_AGILENT002218

Benzyltriethylammonium; ESI-QTOF; MS2; CE: 40; [M+H]+

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT002218
RECORD_TITLE: Benzyltriethylammonium; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Benzyltriethylammonium
CH$NAME: DTXSID9021710
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22N+
CH$EXACT_MASS: 192.1752247092
CH$SMILES: CC[N+](CC1C=CC=CC=1)(CC)CC
CH$IUPAC: InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
CH$LINK: CAS 16652-03-2
CH$LINK: INCHIKEY VBQDSLGFSUGBBE-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$FOCUSED_ION: PRECURSOR_M/Z 193.1825011609
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-834e383deb235f9d73c1
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  39.022927 1.934866 19
  41.038577 2.132876 21
  44.049476 11.191241 111
  45.057301 2.564973 25
  58.065126 5.663111 56
  59.072951 1.011253 10
  63.022927 1.047886 10
  65.038577 27.957526 279
  66.046402 16.897258 168
  72.080776 5.350364 53
  73.088601 1.680971 16
  86.096426 22.623101 226
  87.104251 14.08068 140
  91.054227 93.811075 937
  92.062052 99.999997 999
  100.112076 3.713217 37
  101.119901 3.446021 34
//

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