ACCESSION: MSBNK-EPA-ENTACT_AGILENT002394
RECORD_TITLE: 1-Benzylquinolinium; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Benzylquinolinium
CH$NAME: DTXSID8044593
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄N⁺
CH$EXACT_MASS: 220.112624454
CH$SMILES: C(C1C=CC=CC=1)[N+]1C=CC=C2C=CC=CC=12
CH$IUPAC: InChI=1S/C16H14N/c1-2-7-14(8-3-1)13-17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2/q+1
CH$LINK: CAS 27926-80-3
CH$LINK: INCHIKEY VQGBPCIONNQYIL-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$FOCUSED_ION: PRECURSOR_M/Z 221.1199009057
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9000000000-46d5428c86cb9f41fed6
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  39.022927 1.291492 12
  65.038577 18.989652 189
  66.046402 9.021118 90
  91.054227 100.000002 999
  92.062052 70.622128 705
//