ACCESSION: MSBNK-BAFG-CSL2311107945
RECORD_TITLE: Lomefloxacin; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-000b-0990000000-53aeb2777a41278b1c92
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  128.0491 0.4 59
  134.0385 0.9 134
  146.0401 0.4 59
  147.05 0.6 89
  148.0564 1 149
  152.0303 0.9 134
  153.04 0.8 119
  154.0451 0.4 59
  155.0592 0.9 134
  160.055 0.4 59
  161.0529 1 149
  162.0343 0.6 89
  166.0322 2.1 313
  166.0471 0.8 119
  167.0456 1.4 208
  169.0748 0.5 74
  173.0499 0.7 104
  174.058 2 298
  175.065 0.6 89
  176.0504 1.3 193
  176.0737 0.4 59
  178.0421 0.6 89
  179.0203 0.6 89
  179.0522 0.5 74
  180.0241 0.6 89
  180.0498 0.6 89
  181.0329 1.9 283
  182.0399 0.7 104
  185.0465 0.4 59
  187.0659 1.3 193
  188.0584 1.1 164
  189.0441 0.4 59
  189.0822 0.5 74
  190.0686 0.7 104
  192.0461 0.7 104
  193.0179 0.8 119
  193.0558 1.3 193
  194.0361 0.9 134
  194.0634 6.3 939
  195.0486 5.9 879
  196.0439 2 298
  197.0512 1.2 178
  199.0708 0.4 59
  202.0525 2.2 328
  203.0625 1.1 164
  203.0964 1.1 164
  205.0271 0.4 59
  206.0297 0.7 104
  207.0346 0.5 74
  207.0735 1.4 208
  208.0563 1.7 253
  208.0803 2.2 328
  209.0557 1.6 238
  215.0258 0.5 74
  215.0594 1.6 238
  216.0641 1.3 193
  217.0757 1.8 268
  219.0698 0.4 59
  220.0416 0.7 104
  221.0515 1.4 208
  222.0594 1.1 164
  222.1053 0.5 74
  223.0718 2.3 342
  228.0922 0.7 104
  230.1108 0.9 134
  235.0651 0.5 74
  236.0751 0.9 134
  237.0829 6.7 999
  243.1168 1.7 253
  244.0546 0.9 134
  249.0461 5.3 790
  257.0941 0.8 119
  263.0626 1.4 208
  265.1147 1.1 164
  271.0779 0.9 134
  272.0867 0.5 74
  286.0984 0.7 104
  314.1322 0.6 89
//