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MassBank Record: WA001787

Bretylium; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA001787
RECORD_TITLE: Bretylium; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Bretylium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H17BrN+
CH$EXACT_MASS: 242.05444
CH$SMILES: CC[N+1](C)(C)Cc(c1)c(Br)ccc1
CH$IUPAC: InChI=1S/C11H17BrN/c1-4-13(2,3)9-10-7-5-6-8-11(10)12/h5-8H,4,9H2,1-3H3/q+1
CH$LINK: INCHIKEY AAQOQKQBGPPFNS-UHFFFAOYSA-N
CH$LINK: CAS 59-41-6
CH$LINK: PUBCHEM CID:2431
CH$LINK: COMPTOX DTXSID3046958

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 10.740 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00r6-0970000000-73b07ce89305fe03beb0
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  107 8 8
  169 999 999
  171 987 987
  172 59 59
  210 12 12
  212 12 12
  242 744 744
  243 8 8
  244 795 795
  245 59 59
//

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