MassBank Record: KO008918



 Chloramphenicol; LC-ESI-IT; MS2; m/z: 323; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008918
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS2; m/z: 323; [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 C057

CH$NAME: Chloramphenicol CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H12Cl2N2O5 CH$EXACT_MASS: 322.01233 CH$SMILES: OC[C@H](NC(=O)C(Cl)Cl)[C@@H](O)c(c1)ccc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m0/s1 CH$LINK: CAS 56-75-7 CH$LINK: CHEBI 17698 CH$LINK: KEGG C00918 CH$LINK: PUBCHEM 4172 CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
AC$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 0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 323 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-0a4i-0019000000-108218962e96c2005d10 PK$ANNOTATION: m/z struct. num formula mass 305.0 0 1 C11H11Cl2N2O4 305.00959 275.0 0 1 C10H9Cl2N2O3 274.99902 PK$NUM_PEAK: 77 PK$PEAK: m/z int. rel.int. 96.1 18.03 1 97.0 13.05 1 109.2 59.65 1 111.1 59.75 1 114.1 52.11 1 115.9 27.72 1 127.9 58.62 1 131.1 195.86 1 132.1 69.78 1 139.0 47.62 1 139.9 9.67 1 149.0 35.10 1 150.1 133.73 1 161.2 13.49 1 165.1 15.75 1 166.1 41.82 1 171.2 81.34 1 173.0 77.11 1 177.1 139.88 1 178.1 108.08 1 180.2 48.31 1 187.2 99.64 1 188.1 10.56 1 195.1 205.32 1 206.0 52.67 1 208.2 105.76 1 211.1 55.06 1 218.0 215.04 1 221.0 52.55 1 229.2 16.26 1 234.0 22.11 1 235.0 184.48 1 237.1 33.18 1 241.0 2725.58 8 246.0 34.77 1 247.1 121.93 1 253.3 77.14 1 258.0 21.13 1 262.0 75.44 1 265.1 13.41 1 273.2 95.08 1 275.0 40118.89 112 275.8 21.10 1 277.9 8.62 1 279.0 226.31 1 280.0 19.98 1 282.9 159.18 1 287.0 1657.83 5 291.1 48.29 1 293.1 257.54 1 297.9 70.49 1 299.2 65.53 1 304.2 1596.06 4 305.0 356985.88 999 306.0 4905.31 14 307.1 2333.30 7 308.2 851.61 2 309.6 71.85 1 310.4 95.00 1 311.6 643.08 2 312.5 125.45 1 313.7 63.83 1 316.8 81.88 1 317.8 280.99 1 321.2 30.75 1 322.2 661.09 2 323.1 2044.69 6 324.2 77.45 1 325.1 503.47 1 325.8 9.33 1 327.0 111.88 1 327.9 79.06 1 329.6 70.23 1 341.4 55.60 1 346.2 100.90 1 347.1 149.86 1 348.6 12.77 1 //