ACCESSION: MSBNK-BAFG-CSL23111014899
RECORD_TITLE: N,N-Dimethyldecanamide; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-0006-9000000000-7212042db3d184a5d857
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  30.0334 2.5 25
  37.0065 3.3 34
  38.0023 2 20
  38.0142 3 31
  39.0226 38.2 395
  41.0384 83.4 864
  42.0328 2 20
  43.0176 5.8 60
  43.0384 2 20
  43.0538 29.6 306
  44.0493 96.4 999
  45.0568 17 176
  46.0648 52.3 541
  53.0123 1.2 12
  55.0172 14.9 154
  55.0397 1.3 13
  55.0529 2.6 26
  56.0121 2.2 22
  57.0322 2.8 29
  57.0691 4 41
  58.0276 4.5 46
  58.0645 1.1 11
  72.0437 48.8 505
  72.0785 1.5 15
  87.0665 1.6 16
  100.0746 9 93
//