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MassBank Record: WA001484

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

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

ACCESSION: WA001484
RECORD_TITLE: Beclamide; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Beclamide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12ClNO
CH$EXACT_MASS: 197.06074
CH$SMILES: ClCCC(=O)NCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
CH$LINK: CAS 501-68-8
CH$LINK: INCHIKEY JPYQFYIEOUVJDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5057755

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 14.300 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$SPLASH: splash10-0006-9000000000-e7f9a507925d87773cc3
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  91 999 999
  92 110 110
  120 24 24
  122 8 8
  198 12 12
//

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