ACCESSION: MSBNK-BAFG-CSL23111016393
RECORD_TITLE: Ciprofloxacin; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-001r-0930000000-a9c91310a4271787438e
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  107.028 0.4 57
  128.0494 0.8 114
  132.0241 0.6 85
  134.0395 1.2 171
  135.0475 1.1 156
  140.0478 0.7 99
  142.0644 0.4 57
  148.0561 3 428
  154.0659 0.6 85
  155.0603 1.2 171
  156.0681 0.5 71
  158.0383 0.5 71
  160.0427 0.9 128
  161.0274 0.8 114
  162.0353 1.3 185
  163.0665 0.6 85
  174.0354 0.5 71
  174.0612 1 142
  175.0331 0.4 57
  175.0669 1.6 228
  184.0569 0.7 99
  187.0312 1 142
  187.0671 0.6 85
  188.0384 3.3 470
  189.0484 0.9 128
  191.0653 0.6 85
  203.0603 2.5 356
  215.025 0.6 85
  215.0625 0.5 71
  231.0568 7 999
//