ACCESSION: MSBNK-BAFG-CSL2311109094
RECORD_TITLE: Norfloxacin; LC-ESI-QTOF; MS2; 70 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$NAME: Norfloxacin
CH$COMPOUND_CLASS: Antimicrobial; Pharmaceutical
CH$FORMULA: C₁₆H₁₈FN₃O₃
CH$EXACT_MASS: 319.1332
CH$SMILES: CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O
CH$IUPAC: InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
CH$LINK: CAS 70458-96-7
CH$LINK: INCHIKEY OGJPXUAPXNRGGI-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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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 5.167 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 320.1405
MS$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$SPLASH: splash10-003i-0920000000-b962d20c48aaeea4de18
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  101.0424 0.6 74
  107.0286 0.8 99
  109.0428 0.4 49
  109.0508 0.5 62
  115.0561 0.5 62
  116.0497 0.8 99
  122.0421 0.5 62
  128.0501 1.5 187
  130.0663 0.6 74
  132.0259 0.9 112
  133.0367 1.4 174
  134.0398 2 249
  135.0486 1.8 224
  136.0568 0.9 112
  140.0472 0.5 62
  146.0428 0.9 112
  147.0489 1 124
  148.0558 4.7 586
  149.0537 0.7 87
  155.0606 1.8 224
  156.0712 1.1 137
  157.0749 0.9 112
  160.0481 1.3 162
  161.0276 0.7 87
  161.0538 3.5 437
  162.0382 1.2 149
  163.041 0.8 99
  163.0663 0.7 87
  164.0532 0.6 74
  169.063 0.7 87
  170.0719 0.5 62
  173.0502 1.5 187
  174.0575 2.1 262
  175.066 3.4 424
  176.0752 3.6 449
  183.0748 0.5 62
  185.0738 0.5 62
  187.0315 1.3 162
  187.067 1.3 162
  188.038 3.2 399
  188.0778 0.4 49
  189.0815 7.6 949
  191.0629 0.6 74
  196.0867 0.5 62
  197.0984 0.5 62
  203.0604 4.5 561
  203.0963 0.7 87
  204.1085 0.5 62
  215.023 0.4 49
  217.0347 0.4 49
  217.0771 0.5 62
  224.0386 0.9 112
  225.0427 0.4 49
  231.0556 8 999
//