MassBank Record: KO000456



 Chloramphenicol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000456
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:10 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$LINK: PUBCHEM SID:4172
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 321 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0129000000-73e1d491c914f980b6a8 PK$NUM_PEAK: 65 PK$PEAK: m/z int. rel.int. 59.300 89109.0 2 76.900 227723.0 4 90.900 376238.0 7 95.100 381188.5 7 99.200 44554.5 1 104.500 39604.0 1 109.000 1227724.0 23 113.200 173267.5 3 115.000 108911.0 2 118.800 24752.5 1 123.100 257426.0 5 126.100 54455.5 1 127.200 801981.0 15 131.000 49505.0 1 133.600 24752.5 1 137.100 183168.5 3 141.000 1321783.5 24 144.900 282178.5 5 147.300 2202972.5 41 149.000 14851.5 1 152.000 485149.0 9 155.000 198020.0 4 157.000 99010.0 2 159.100 301980.5 6 162.700 108911.0 2 164.000 24752.5 1 165.000 64356.5 1 168.800 24752.5 1 173.300 34653.5 1 176.300 79208.0 1 177.100 123762.5 2 181.200 49505.0 1 183.000 29703.0 1 194.600 712872.0 13 195.200 69307.0 1 198.900 64356.5 1 200.700 44554.5 1 203.100 49505.0 1 204.200 34653.5 1 204.900 108911.0 2 206.900 24752.5 1 212.800 49505.0 1 216.800 39604.0 1 223.300 490099.5 9 225.000 54455.5 1 229.300 1584160.0 29 231.000 89109.0 2 235.100 34653.5 1 237.100 143564.5 3 239.400 158416.0 3 245.100 643565.0 12 249.300 356436.0 7 257.000 2108913.0 39 259.100 49505.0 1 261.300 2470299.5 46 261.500 787129.5 15 263.100 2074259.5 38 271.200 29703.0 1 275.200 1722774.0 32 277.300 1896041.5 35 283.200 34653.5 1 285.300 643565.0 12 289.100 361386.5 7 303.800 19802.0 1 321.200 54173321.5 999 //