ACCESSION: MSBNK-BAFG-CSL2311107941
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$SPLASH: splash10-0159-0093000000-99c31dadc62c28f82afa
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  84.0809 0.4 11
  175.0695 0.8 23
  194.0635 1.8 52
  195.0477 0.9 26
  195.0737 0.5 14
  196.0442 0.5 14
  197.0522 0.7 20
  202.053 0.6 17
  203.063 1.3 37
  203.0943 0.4 11
  208.0572 0.9 26
  208.0791 0.4 11
  209.0553 0.8 23
  209.0682 0.7 20
  215.047 0.5 14
  215.0582 1 29
  217.0738 1.4 40
  222.0597 2.5 72
  222.0961 0.5 14
  223.0666 5.5 160
  224.0754 0.8 23
  225.0851 1.4 40
  230.0839 0.4 11
  230.112 0.4 11
  231.091 0.6 17
  235.0678 1.2 34
  236.0768 2.4 69
  237.0837 16.7 486
  243.0517 0.4 11
  243.1164 2.2 64
  244.0501 1 29
  244.09 0.7 20
  245.1064 1.1 32
  249.0474 2.9 84
  249.0853 0.7 20
  250.0933 0.7 20
  251.0995 8.5 247
  257.1013 0.5 14
  257.1354 0.5 14
  258.1412 2.2 64
  262.0938 0.6 17
  263.0651 1.3 37
  263.0954 1.2 34
  265.1154 34.3 999
  268.1502 0.4 11
  271.075 0.5 14
  272.0831 1.6 46
  286.0987 2.8 81
  286.1338 0.6 17
  288.1504 1.5 43
  291.0941 2.9 84
  291.1241 1.9 55
  306.1064 3.8 110
  308.1569 1.7 49
  314.1288 6.3 183
  334.137 27.7 806
//