ACCESSION: MSBNK-Keio_Univ-KO008919
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS3; m/z: 323/305; [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: [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$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453

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
//