ACCESSION: MSBNK-BAFG-CSL23111016399
RECORD_TITLE: Ciprofloxacin; 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$NAME: Ciprofloxacin
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₇H₁₈FN₃O₃
CH$EXACT_MASS: 331.1332
CH$SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
CH$LINK: CAS 85721-33-1
CH$LINK: INCHIKEY MYSWGUAQZAJSOK-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 5.497 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 332.1405
MS$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$SPLASH: splash10-06ss-0900000000-a85849b3e6d9c321e7a6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  77.0398 0.6 249
  83.0292 0.5 208
  89.0382 1.1 457
  101.0383 0.6 249
  106.0204 1 416
  107.0293 1.7 707
  114.0346 0.7 291
  115.0536 0.6 249
  116.0499 0.6 249
  128.0508 1.6 666
  132.0243 1.5 624
  133.0327 2.1 874
  134.0399 0.9 374
  135.0495 0.6 249
  136.0547 0.5 208
  140.05 1.1 457
  147.0478 0.6 249
  148.0573 1.9 790
  154.0393 0.4 166
  154.0635 0.4 166
  155.0589 0.5 208
  160.0199 0.6 249
  160.0436 2.4 999
  161.0285 0.5 208
  162.0368 0.4 166
  172.0554 0.6 249
  187.0304 1.4 582
  188.0385 0.8 333
  231.0603 0.4 166
//