MassBank Record: KO008905



 Ciprofloxacin; LC-ESI-IT; MS2; m/z: 332; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008905
RECORD_TITLE: Ciprofloxacin; LC-ESI-IT; MS2; m/z: 332; [M+H]+
DATE: 2011.05.10 (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

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 MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5.50
MS$FOCUSED_ION: PRECURSOR_M/Z 332 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-000i-0090000000-6fc954ec7c93eaabef55 PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 116.1 5.31 2 130.2 1.06 1 153.1 1.56 1 159.1 2.06 1 160.9 3.81 2 163.0 1.06 1 171.0 1.87 1 173.7 1.06 1 175.0 1.81 1 176.1 4.00 2 178.0 2.25 1 184.0 3.94 2 185.1 2.12 1 185.9 2.06 1 187.2 1.56 1 189.0 7.44 3 190.1 3.50 1 191.0 12.38 5 194.0 9.06 4 197.9 34.06 14 199.0 3.31 1 200.8 3.94 2 203.0 50.88 21 204.0 21.62 9 205.1 62.29 26 206.2 5.69 2 207.0 5.12 2 209.9 8.37 3 210.9 7.19 3 212.1 18.57 8 213.0 11.75 5 213.9 8.13 3 215.0 0.75 1 217.0 9.69 4 217.9 3.25 1 219.1 5.06 2 225.1 14.37 6 226.1 39.49 16 227.1 74.31 31 229.0 3.56 1 230.0 3.25 1 231.0 91.92 38 232.0 27.43 11 233.0 4.25 2 238.0 3.94 2 239.0 34.62 14 240.0 40.31 17 245.1 408.13 170 247.0 5.88 2 248.0 3.50 1 248.9 3.19 1 250.0 2.69 1 250.9 6.00 2 252.0 5.88 2 253.1 12.50 5 256.1 3.25 1 258.0 24.07 10 266.1 1.19 1 267.0 1.06 1 268.1 430.56 179 270.9 3.37 1 272.0 9.18 4 273.0 6.13 3 279.4 5.37 2 286.1 38.80 16 287.2 15.06 6 288.1 2404.10 999 288.9 2.94 1 290.2 14.37 6 291.2 2.00 1 294.1 10.75 4 312.1 63.24 26 313.5 1.56 1 332.1 99.44 41 333.0 1.50 1 333.8 1.31 1 352.9 0.81 1 359.1 36.25 15 364.0 1.50 1 374.2 1.75 1 //