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MassBank Record: MSBNK-BAFG-CSL23111014894

N,N-Dimethyldecanamide; LC-ESI-QTOF; MS2; 110 V

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

ACCESSION: MSBNK-BAFG-CSL23111014894
RECORD_TITLE: N,N-Dimethyldecanamide; LC-ESI-QTOF; MS2; 110 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: N,N-Dimethyldecanamide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C12H25NO
CH$EXACT_MASS: 199.1936
CH$SMILES: CCCCCCCCCC(=O)N(C)C
CH$IUPAC: InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3
CH$LINK: CAS 14433-76-2
CH$LINK: INCHIKEY HNXNKTMIVROLTK-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 13.577 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 200.2009
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-000f-9000000000-faa21474e4ed24fee32b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  30.0334 2.3 52
  35.9984 0.6 13
  37.0069 5 114
  38.0019 1.7 38
  38.0144 5.1 116
  39.0227 22.6 516
  41.038 3.1 70
  42.0331 3.4 77
  43.0173 8 182
  43.0406 0.6 13
  44.0493 43.7 999
  46.0642 1.2 27
  52.0053 0.5 11
  53.0123 0.7 16
  54.033 0.5 11
  55.017 1.6 36
  56.0121 0.5 11
  58.0277 3.1 70
  72.0428 0.5 11
//

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