ACCESSION: MSBNK-BAFG-CSL23111014901
RECORD_TITLE: N,N-Dimethyldecanamide; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-0006-9000000000-55a00fef8a972126a9d8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  30.0334 3.4 34
  37.0068 4.5 45
  38.0025 2.6 26
  38.0143 3.7 37
  39.0227 37.9 379
  41.0383 49 490
  42.033 2.7 27
  43.0175 10 100
  43.0537 8.6 86
  44.0494 99.8 999
  45.0567 7.2 72
  46.0647 25.5 255
  55.0173 12.5 125
  55.0401 1.6 16
  55.0532 1.7 17
  56.012 2.9 29
  57.0321 1.3 13
  58.0279 5.7 57
  72.0437 22 220
  100.0747 1.9 19
//