MassBank Record: KO008919



 Chloramphenicol; LC-ESI-IT; MS3; m/z: 323/305; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO008919
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS3; m/z: 323/305; [M+H]+
DATE: 2011.12.05 (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
COMMENT: [MS2] KO008918

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 MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.70
MS$FOCUSED_ION: PRECURSOR_M/Z 323/305 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-004i-0090000000-74d19dad15f1c9cefc93 PK$NUM_PEAK: 58 PK$PEAK: m/z int. rel.int. 88.0 187.18 1 90.2 76.85 1 106.1 302.42 1 113.0 8.71 1 116.0 599.31 3 117.0 8.54 1 118.1 90.80 1 119.0 43.80 1 127.9 764.94 3 131.0 88.01 1 132.0 719.02 3 136.0 940.86 4 137.0 12.29 1 139.9 22.25 1 146.1 377.62 2 148.0 277.43 1 149.0 11.67 1 150.0 225.38 1 161.0 8.42 1 165.1 2121.54 10 166.0 296.04 1 170.0 209.42 1 175.0 79.92 1 177.0 54.76 1 178.1 356.25 2 181.0 31.42 1 187.1 154.31 1 195.9 59.26 1 203.1 34.22 1 206.1 618.91 3 221.0 14.42 1 222.0 17.05 1 227.2 19.59 1 229.1 327.58 1 235.2 108.26 1 238.9 115.47 1 241.0 19248.02 87 247.1 138.85 1 257.0 37.30 1 258.1 205.28 1 259.2 17.59 1 261.0 122.64 1 270.0 719.90 3 274.0 189.02 1 275.0 221659.97 999 275.8 225.08 1 276.7 193.99 1 277.4 92.10 1 278.1 97.98 1 279.1 135.11 1 284.8 17.42 1 285.9 89.97 1 287.0 6023.89 27 295.9 27.42 1 298.7 152.10 1 305.0 1153.18 5 306.0 60.21 1 318.0 219.32 1 //