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MassBank Record: KO008920

Chloramphenicol; LC-ESI-IT; MS3; m/z: 323/275; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO008920
RECORD_TITLE: Chloramphenicol; LC-ESI-IT; MS3; m/z: 323/275; [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 1.00/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 323/275
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-014i-0950000000-4e53d55f790f96bee1fd
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  92.2 9.15 24
  105.1 4.08 11
  118.0 2.33 6
  119.1 7.16 19
  146.0 21.48 56
  148.1 3.58 9
  149.9 7.05 19
  156.9 20.33 53
  164.1 8.91 23
  165.1 380.37 999
  166.1 9.49 25
  192.1 7.00 18
  193.7 2.67 7
  196.0 6.91 18
  203.0 4.08 11
  210.9 2.33 6
  220.9 2.50 7
  229.0 50.18 132
  247.0 5.33 14
  258.0 109.73 288
  275.0 100.40 264
//

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