ACCESSION: MSBNK-Keio_Univ-KO002612
RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-001i-0009000000-06b6d10cecb7c9cab240
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  122.700 9901.0 1
  123.800 19802.0 1
  132.000 24752.5 1
  150.400 24752.5 1
  157.400 64356.5 2
  158.400 34653.5 1
  175.000 450495.5 12
  176.200 94059.5 3
  184.100 84158.5 2
  185.300 64356.5 2
  198.300 89109.0 2
  213.300 19802.0 1
  217.000 54455.5 1
  218.300 94059.5 3
  223.200 54455.5 1
  225.300 39604.0 1
  229.800 39604.0 1
  233.400 74257.5 2
  233.900 19802.0 1
  241.000 133663.5 4
  245.500 29703.0 1
  254.500 99010.0 3
  256.000 79208.0 2
  259.600 138614.0 4
  268.100 19802.0 1
  272.200 153465.5 4
  288.400 89109.0 2
  296.300 14851.5 1
  297.400 39604.0 1
  298.500 9901.0 1
  300.400 99010.0 3
  314.500 222772.5 6
  315.600 4252479.5 114
  332.600 37410928.5 999
//