MassBank Record: KO002616



 Ciprofloxacin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002616
RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:50 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
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 332 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-1290000000-f3446636040c80d0f8a3 PK$NUM_PEAK: 64 PK$PEAK: m/z int. rel.int. 44.000 69307.0 20 55.300 69307.0 20 69.200 232673.5 66 79.200 64356.5 18 80.800 94059.5 27 83.100 54455.5 15 91.100 29703.0 8 93.100 143564.5 41 95.200 94059.5 27 96.800 89109.0 25 98.400 24752.5 7 105.200 29703.0 8 109.300 14851.5 4 111.200 24752.5 7 116.100 39604.0 11 128.000 24752.5 7 132.100 34653.5 10 135.300 103960.5 29 136.300 113861.5 32 137.400 9901.0 3 144.200 69307.0 20 145.900 29703.0 8 147.900 74257.5 21 149.100 34653.5 10 149.800 24752.5 7 153.800 14851.5 4 156.400 29703.0 8 160.200 24752.5 7 162.200 64356.5 18 163.300 54455.5 15 169.300 59406.0 17 170.500 24752.5 7 174.400 49505.0 14 175.200 59406.0 17 176.000 173267.5 49 177.200 29703.0 8 180.900 24752.5 7 184.300 59406.0 17 185.400 44554.5 13 189.200 311881.5 88 190.000 49505.0 14 191.400 183168.5 52 196.600 29703.0 8 201.300 24752.5 7 202.300 103960.5 29 203.200 594060.0 168 204.500 287129.0 81 205.400 470297.5 133 215.100 54455.5 15 215.400 39604.0 11 217.300 84158.5 24 219.000 34653.5 10 222.300 19802.0 6 225.300 64356.5 18 226.200 44554.5 13 229.100 79208.0 22 230.600 69307.0 20 231.200 3529706.5 999 238.000 19802.0 6 243.000 44554.5 13 245.500 212871.5 60 265.200 24752.5 7 270.200 19802.0 6 314.500 202970.5 57 //