MassBank Record: MSBNK-Keio_Univ-KO000458
ACCESSION: MSBNK-Keio_Univ-KO000458
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 321
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-3900000000-99c6d55f6d7f239d0bec
PK$NUM_PEAK: 87
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//
system version 2.2.6-SNAPSHOT