MassBank Record: KO008906



 Ciprofloxacin; LC-ESI-IT; MS3; m/z: 332/288; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008906
RECORD_TITLE: Ciprofloxacin; LC-ESI-IT; MS3; m/z: 332/288; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C133
COMMENT: [MS2] KO008905

CH$NAME: Ciprofloxacin CH$COMPOUND_CLASS: N/A CH$FORMULA: C17H18FN3O3 CH$EXACT_MASS: 331.13322 CH$SMILES: OC(=O)C(=C1)C(=O)c(c3)c(cc(N(C4)CCNC4)c(F)3)N1C(C2)C2 CH$IUPAC: InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) CH$LINK: CAS 85721-33-1 CH$LINK: KEGG C05349 CH$LINK: NIKKAJI J21.732H CH$LINK: PUBCHEM 7727 CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.80/0.90
MS$FOCUSED_ION: PRECURSOR_M/Z 332/288 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-014j-0090000000-4941e415278d50eca72b PK$NUM_PEAK: 51 PK$PEAK: m/z int. rel.int. 134.9 5.47 7 173.1 1.77 2 179.1 1.77 2 189.0 11.08 14 190.9 5.69 7 194.9 1.54 2 197.0 9.07 11 198.0 56.09 71 199.0 7.38 9 199.9 0.92 1 201.1 2.15 3 203.1 36.33 46 204.0 41.77 53 205.0 79.63 100 208.2 7.39 9 211.0 5.08 6 212.0 25.53 32 213.0 9.54 12 215.1 14.92 19 216.0 6.31 8 216.9 4.62 6 218.1 8.07 10 219.0 45.32 57 221.0 14.25 18 224.0 3.08 4 225.1 10.77 14 226.0 22.32 28 227.0 77.79 98 229.1 2.85 4 230.0 4.77 6 231.0 58.08 73 231.9 2.69 3 238.0 6.08 8 239.1 18.93 24 240.1 113.56 143 241.0 7.77 10 242.9 2.54 3 245.1 582.16 733 247.2 6.15 8 250.0 15.69 20 253.0 2.77 3 257.1 1.85 2 258.0 14.54 18 260.2 1.62 2 267.3 8.07 10 268.1 793.45 999 268.7 4.61 6 270.1 1.46 2 271.1 17.16 22 286.0 11.93 15 288.2 84.78 107 //