ACCESSION: MSBNK-Keio_Univ-KO008921
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS4; m/z: 323/305/241; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C057
COMMENT: [MS3] KO008919

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$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS4
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/1.00/0.55

MS$FOCUSED_ION: PRECURSOR_M/Z 323/305/241
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0abc-0590000000-2a90681f50092b15b9a8
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  128.0 2.60 16
  132.0 44.72 272
  170.1 85.86 523
  197.9 13.50 82
  206.0 164.02 999
  241.0 94.31 574
//