ACCESSION: MSBNK-Keio_Univ-KO002613
RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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 SID:7727
CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8022824

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 332
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-0129000000-61453c8af95773ec6b29
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  85.200 19802.0 1
  111.100 34653.5 2
  112.100 9901.0 1
  121.000 39604.0 2
  128.800 59406.0 4
  131.700 49505.0 3
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  255.100 24752.5 2
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  268.500 148515.0 9
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  288.400 2599012.5 159
  314.400 2876240.5 176
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  332.600 16331699.5 999
//