ACCESSION: MSBNK-BAFG-CSL2311107938
RECORD_TITLE: Lomefloxacin; 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$NAME: Lomefloxacin
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$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 5.44 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$SPLASH: splash10-0gdr-0900000000-87985279af501abc6575
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  75.0254 0.6 230
  99.0266 0.5 192
  100.02 0.9 345
  106.0216 0.5 192
  107.029 1 384
  112.0123 1.1 422
  113.023 0.8 307
  114.0338 0.7 268
  119.0294 0.5 192
  120.0371 0.6 230
  122.0387 0.6 230
  124.0146 0.9 345
  125.0208 2 768
  126.0302 1.6 614
  127.0383 0.9 345
  132.0252 1.5 576
  133.0465 0.8 307
  134.042 1 384
  138.0274 0.6 230
  139.0237 2.3 883
  140.033 0.7 268
  140.0483 0.8 307
  146.0398 1.7 653
  147.0462 0.6 230
  148.0587 0.7 268
  150.0164 1.1 422
  151.0222 1 384
  152.0308 1.9 730
  153.0419 0.8 307
  155.0655 0.5 192
  157.0249 0.4 153
  160.0427 0.8 307
  165.0402 1.2 461
  166.044 2.6 999
  167.0416 0.4 153
  173.0527 1.1 422
  174.0582 0.6 230
  176.0508 1 384
  178.0361 0.7 268
  179.0433 0.8 307
  191.0419 0.6 230
  194.0468 0.4 153
  205.0173 0.7 268
//