ACCESSION: MSBNK-BAFG-CSL2311107940
RECORD_TITLE: Lomefloxacin; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-00ks-0290000000-6047dbc7ec057add5fcf
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  134.0399 0.4 22
  153.0382 0.4 22
  155.0596 0.6 33
  161.0568 0.5 28
  162.0354 0.8 45
  166.0337 0.4 22
  166.0458 0.9 50
  167.0429 0.6 33
  167.0503 0.5 28
  173.0509 0.5 28
  174.0559 0.9 50
  176.0527 0.4 22
  179.0433 0.4 22
  181.0319 0.9 50
  182.0409 0.7 39
  186.061 0.5 28
  187.0653 0.9 50
  188.0667 0.5 28
  190.0662 0.4 22
  193.0579 0.9 50
  194.0645 4.4 248
  195.0488 4 225
  196.0465 1.2 67
  197.0528 1.5 84
  199.0658 0.5 28
  202.053 2.3 129
  203.0608 2.1 118
  203.0983 0.6 33
  206.0307 0.5 28
  207.0757 0.7 39
  208.0556 1.5 84
  208.079 1.6 90
  209.0545 2.4 135
  215.0259 0.5 28
  215.061 1.2 67
  216.0664 1.1 62
  217.0763 2.9 163
  220.0481 0.7 39
  221.0541 0.8 45
  222.0592 3.9 220
  223.0674 4.8 270
  224.076 0.9 50
  225.0819 0.9 50
  228.0937 0.5 28
  229.1018 0.4 22
  230.0808 1.2 67
  230.107 0.6 33
  235.0275 0.6 33
  235.0682 1.2 67
  236.0501 0.7 39
  236.0741 3.1 174
  237.0838 17.7 999
  238.0916 0.5 28
  243.0546 1.4 79
  243.1161 3.3 186
  244.0508 2.3 129
  245.1068 0.6 33
  249.047 7 395
  250.0942 0.4 22
  251.1002 1.8 101
  258.1403 0.7 39
  262.0949 0.5 28
  263.0636 2.4 135
  263.0993 0.6 33
  265.1137 8.3 468
  271.0748 0.8 45
  272.0805 0.7 39
  286.098 2.2 124
  291.1006 1.3 73
  306.1054 2 112
  314.1322 2.3 129
  334.1382 2.3 129
//