ACCESSION: MSBNK-Keio_Univ-KO000460
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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: NIKKAJI J2.802I
CH$LINK: PUBCHEM SID:4172
CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N
CH$LINK: COMPTOX DTXSID40158453

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 321
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0aba-9500000000-b281e388eaf2c665bc61
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
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  42.300 188119.0 80
  46.100 801981.0 340
  47.000 118812.0 50
  55.500 19802.0 8
  59.300 2356438.0 999
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  80.800 19802.0 8
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  83.900 64356.5 27
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  92.900 143564.5 61
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  99.000 376238.0 160
  105.000 84158.5 36
  106.000 371287.5 157
  107.400 24752.5 10
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  117.000 59406.0 25
  117.700 29703.0 13
  118.300 54455.5 23
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  121.200 2311883.5 980
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//