ACCESSION: MSBNK-BAFG-CSL2311107944
RECORD_TITLE: Lomefloxacin; 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$NAME: Lomefloxacin
CH$COMPOUND_CLASS: Pharmaceutical; Antimicrobial
CH$FORMULA: C₁₇H₁₉F₂N₃O₃
CH$EXACT_MASS: 351.1394
CH$SMILES: CCn1cc(c(=O)c2c1c(c(c(c2)F)N3CCNC(C3)C)F)C(=O)O
CH$IUPAC: InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)
CH$LINK: CAS 98079-62-0
CH$LINK: INCHIKEY ZEKZLJVOYLTDKK-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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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 5.44 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 352.1467
MS$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$SPLASH: splash10-0fvs-0900000000-91ec1b1d53a85ad413d6
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  75.0261 0.4 108
  99.0237 0.6 161
  101.0356 0.7 188
  107.0279 1 269
  112.0105 0.6 161
  119.0278 0.9 242
  120.0376 0.8 216
  122.0386 0.5 134
  124.018 0.4 108
  125.0189 1.5 404
  126.0286 1.8 485
  127.0418 0.8 216
  132.0231 1.1 297
  133.0361 1.7 458
  134.0387 1.4 377
  138.026 1.1 297
  139.0222 3.2 864
  140.0284 1 269
  140.0499 0.7 188
  145.0395 0.6 161
  146.0382 1.5 404
  147.0455 2.2 594
  148.0559 0.8 216
  150.0132 0.7 188
  150.0319 0.4 108
  151.0234 1.2 323
  152.0307 1.8 485
  153.038 1.6 432
  154.0495 0.5 134
  155.0565 0.7 188
  157.0171 0.6 161
  165.0361 1.1 297
  166.0423 3.7 999
  166.0672 0.4 108
  167.0404 0.8 216
  168.0655 0.9 242
  169.0325 0.6 161
  173.0496 1.3 351
  174.0389 0.4 108
  174.0569 1.1 297
  175.0665 0.5 134
  176.0495 1.6 432
  178.0334 0.9 242
  179.0409 1.2 323
  180.0461 0.9 242
  181.0307 0.9 242
  187.0659 1.1 297
  191.0445 0.4 108
  193.0162 0.4 108
  194.039 0.6 161
  194.0636 0.9 242
  195.0473 1.6 432
  203.061 0.5 134
  205.0211 0.9 242
//