ACCESSION: MSBNK-BAFG-CSL23111014897
RECORD_TITLE: N,N-Dimethyldecanamide; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-000f-9000000000-bcbd221a3f886550ec1e
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  30.0333 1.5 62
  35.9988 1.1 45
  37.0068 5.4 224
  38.0033 1.6 66
  38.0141 5.1 212
  39.0224 14.7 611
  41.038 1.2 49
  42.033 2.5 104
  43.0171 6 249
  43.0407 0.6 24
  44.0127 0.5 20
  44.0491 24 999
  46.0636 0.6 24
  52.0058 0.4 16
  53.0125 1 41
  58.0275 1.7 70
//