ACCESSION: MSBNK-RIKEN_NPDepo-CB000288
RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe, Propylene glycols, Nitrobenzenes

CH$NAME: Chloramphenicol
CH$COMPOUND_CLASS: Carbohydrates
CH$FORMULA: C₁₁H₁₂Cl₂N₂O₅
CH$EXACT_MASS: 323.1347
CH$SMILES: O=[N+]([O-])c1ccc(C(O)C(CO)N=C(O)C(Cl)Cl)cc1
CH$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)
CH$LINK: CAS 56-75-7
CH$LINK: CHEMSPIDER 5744 128822
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:298

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0936000000-eb7d9f92993b3f8b388a
PK$NUM_PEAK: 123
PK$PEAK: m/z int. rel.int.
  114.0000 36031.9844 21
  114.8000 64033.9844 39
  142.0000 366702.5625 232
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  142.7000 170688.6406 107
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  143.0000 114684.6641 72
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  143.2000 116331.8359 73
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//