ACCESSION: MSBNK-BAFG-CSL2311107939
RECORD_TITLE: Lomefloxacin; LC-ESI-QTOF; MS2; 40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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$SPLASH: splash10-015i-0194000000-cd321013811ae01006c5
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  153.0399 0.4 20
  166.044 0.6 30
  179.0418 0.4 20
  181.0306 0.6 30
  194.0648 2.3 116
  195.0477 1.7 85
  195.073 0.6 30
  196.0411 0.6 30
  196.0781 0.5 25
  197.0549 0.5 25
  197.0717 0.4 20
  202.052 0.6 30
  203.06 1.2 60
  203.0983 0.4 20
  205.0292 0.4 20
  208.0531 1.1 55
  208.0803 0.6 30
  208.097 0.5 25
  209.0528 0.4 20
  217.0758 1.3 65
  221.0503 0.4 20
  222.0565 1.6 80
  223.0669 3.4 171
  224.0743 0.6 30
  225.0837 1.3 65
  230.1126 0.5 25
  231.0886 0.6 30
  235.0676 0.7 35
  235.0749 0.5 25
  236.0749 1.7 85
  237.0817 11.4 575
  243.0513 0.5 25
  243.114 2.1 105
  244.051 1 50
  249.0472 2.9 146
  250.0901 0.6 30
  251.0975 5.2 262
  257.0623 0.4 20
  258.1383 1.1 55
  263.0619 1.3 65
  263.0998 0.5 25
  265.1138 19.8 999
  268.1461 0.4 20
  286.0962 1.8 90
  288.1469 2.1 105
  291.0962 1.1 55
  291.1251 1.9 95
  306.1013 2.7 136
  306.1386 0.5 25
  308.1546 6.2 312
  314.1283 3.5 176
  334.1345 18.9 953
  352.1459 3.6 181
//