ACCESSION: MSBNK-BAFG-CSL2311109089
RECORD_TITLE: Norfloxacin; 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$NAME: Norfloxacin
CH$COMPOUND_CLASS: Antimicrobial; Pharmaceutical
CH$FORMULA: C₁₆H₁₈FN₃O₃
CH$EXACT_MASS: 319.1332
CH$SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
CH$IUPAC: InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
CH$LINK: CAS 70458-96-7
CH$LINK: INCHIKEY OGJPXUAPXNRGGI-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$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 5.167 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 320.1405
MS$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$SPLASH: splash10-001i-1900000000-9b8dbcd57df9919d35e9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  74.0188 0.6 127
  75.0269 1 212
  77.0432 0.9 191
  81.0202 0.5 106
  83.0331 0.4 85
  87.0275 0.7 148
  88.0243 0.4 85
  89.0424 1.2 255
  94.0247 0.6 127
  95.0349 0.6 127
  99.0239 0.5 106
  100.0224 0.6 127
  101.0401 1.8 382
  102.0474 0.7 148
  105.0135 0.9 191
  106.0206 1 212
  107.0309 2.9 616
  108.037 0.9 191
  109.049 0.5 106
  113.0283 1 212
  114.0336 0.8 170
  115.055 1.1 233
  120.038 1.1 233
  121.0338 0.5 106
  122.041 0.5 106
  126.035 1.4 297
  128.0479 1.7 361
  129.052 0.7 148
  132.0247 4.4 935
  133.0341 4.7 999
  134.0405 2.9 616
  135.0494 1 212
  139.0254 0.4 85
  139.0352 0.6 127
  140.0433 0.9 191
  146.0404 1.7 361
  147.0479 1 212
  148.056 1.7 361
  154.0387 0.4 85
  155.0584 0.7 148
  160.0182 0.9 191
  160.0428 1.8 382
  161.0545 1.6 340
  162.0385 0.5 106
  167.0188 0.5 106
  173.0507 2.5 531
  174.0601 0.8 170
  187.0306 1.9 403
  187.0614 0.4 85
  188.0125 0.5 106
//