ACCESSION: MSBNK-BAFG-CSL23111016634
RECORD_TITLE: Norlidocaine; LC-ESI-QTOF; MS2; 100 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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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$SPLASH: splash10-0ufr-9000000000-edefcae6bee0cc3413e8
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  30.0338 4.6 323
  37.0071 1.1 77
  38.0024 2.5 175
  38.0153 0.9 63
  39.0228 3.6 253
  40.0058 0.4 28
  42.0335 2 140
  49.0072 0.9 63
  50.0152 6.1 429
  51.023 14.2 999
  52.0065 0.6 42
  53.0134 1 70
  53.0384 0.8 56
  58.0654 1.6 112
  62.015 1.1 77
  63.0232 2.4 168
  65.0387 3.3 232
  67.0406 0.6 42
  74.0145 0.5 35
  77.0387 11.3 794
  78.0332 0.7 49
  79.0538 2.2 154
  80.0498 1.1 77
  89.0386 3.5 246
  91.0534 1.6 112
  105.0447 0.5 35
  106.0651 3.7 260
//