ACCESSION: MSBNK-Keio_Univ-KO008918
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS2; m/z: 323; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$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
  275.0 0 1 C10H9Cl2N2O3 274.99902
  305.0 0 1 C11H11Cl2N2O4 305.00959
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
//