ACCESSION: MSBNK-BAFG-CSL23111016620
RECORD_TITLE: Norlidocaine; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0a6r-9200000000-c5c3e32f7224adcaa196
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  30.0342 6.8 329
  37.0073 0.4 19
  38.0025 2.2 106
  38.0151 0.5 24
  39.0228 1.7 82
  40.0057 0.5 24
  42.0337 1 48
  50.0148 2.2 106
  51.0231 11.2 543
  52.006 0.6 29
  53.0135 0.8 38
  53.0383 0.9 43
  54.0079 0.7 33
  58.0654 11.1 538
  63.0225 0.7 33
  65.0386 2.8 135
  67.0414 0.4 19
  77.0386 20.6 999
  78.0335 0.5 24
  79.0539 4.4 213
  80.0498 0.8 38
  89.0385 3.9 189
  90.046 1.2 58
  91.0537 3.1 150
  103.0535 1.2 58
  105.0449 0.6 29
  105.0694 0.5 24
  106.0646 14.4 698
  107.0485 0.9 43
  107.0729 1 48
  117.0567 0.7 33
  118.0637 0.5 24
//