ACCESSION: MSBNK-BAFG-CSL23111016621
RECORD_TITLE: Norlidocaine; LC-ESI-QTOF; MS2; 90 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$NAME: Norlidocaine
CH$COMPOUND_CLASS: Pharmaceutical; Metabolite
CH$FORMULA: C₁₂H₁₈N₂O
CH$EXACT_MASS: 206.1419
CH$SMILES: CCNCC(=O)Nc1c(cccc1C)C
CH$IUPAC: InChI=1S/C12H18N2O/c1-4-13-8-11(15)14-12-9(2)6-5-7-10(12)3/h5-7,13H,4,8H2,1-3H3,(H,14,15)
CH$LINK: CAS 7728-40-7
CH$LINK: INCHIKEY WRMRXPASUROZGT-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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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 5.349 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 207.1492
MS$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$SPLASH: splash10-0zi0-9100000000-c51871483e25fcec2b0f
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  30.0339 4.9 328
  37.0076 0.7 46
  38.0026 2.1 140
  39.023 2.5 167
  42.0338 1.4 93
  49.0069 0.6 40
  50.0155 4.7 315
  51.0232 12.4 831
  52.0059 0.5 33
  52.0306 0.4 26
  53.0133 0.9 60
  53.0387 0.7 46
  54.033 0.5 33
  58.0652 4.4 295
  61.0072 0.4 26
  62.0147 0.6 40
  63.0228 2.1 140
  65.0381 3.4 227
  67.0415 0.7 46
  74.0156 0.6 40
  77.0385 14.9 999
  78.0322 0.5 33
  79.0542 2.5 167
  80.0496 0.9 60
  89.0384 3.9 261
  90.045 0.8 53
  91.0533 2.8 187
  103.0546 0.6 40
  105.0693 0.5 33
  106.0646 7.2 482
  107.0497 0.5 33
//