MassBank Record: KO000457



 Chloramphenicol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000457
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 321 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0zfu-1931000000-220d58bf9a6afa386f85 PK$NUM_PEAK: 87 PK$PEAK: m/z int. rel.int. 59.300 366337.0 29 61.900 9901.0 1 77.200 702971.0 55 78.800 34653.5 3 83.900 74257.5 6 91.200 1084159.5 85 93.300 148515.0 12 95.000 663367.0 52 97.000 549505.5 43 99.000 846535.5 67 105.000 128713.0 10 108.900 663367.0 52 110.900 54455.5 4 113.200 460396.5 36 115.100 133663.5 11 116.900 34653.5 3 117.300 34653.5 3 118.100 19802.0 2 118.900 29703.0 2 120.900 188119.0 15 123.000 84158.5 7 125.700 227723.0 18 126.000 361386.5 28 126.700 727723.5 57 131.500 69307.0 5 132.800 64356.5 5 133.200 59406.0 5 134.000 84158.5 7 137.100 262376.5 21 139.200 69307.0 5 141.100 4396044.0 347 142.800 34653.5 3 146.000 79208.0 6 147.300 1500001.5 118 148.400 247525.0 20 151.200 1059407.0 84 152.200 12668329.5 999 154.700 113861.5 9 157.100 158416.0 12 159.100 79208.0 6 161.200 168317.0 13 164.300 64356.5 5 165.100 148515.0 12 166.000 39604.0 3 167.800 39604.0 3 168.300 54455.5 4 169.100 14851.5 1 173.100 44554.5 4 175.200 54455.5 4 176.200 2391091.5 189 177.000 64356.5 5 178.100 39604.0 3 179.000 287129.0 23 181.100 153465.5 12 183.300 19802.0 2 186.900 69307.0 5 192.900 29703.0 2 194.500 3905944.5 308 195.400 89109.0 7 197.800 69307.0 5 200.900 44554.5 4 202.800 24752.5 2 205.300 113861.5 9 205.900 29703.0 2 207.100 99010.0 8 212.000 14851.5 1 217.400 79208.0 6 219.300 396040.0 31 221.100 133663.5 11 223.600 49505.0 4 225.000 24752.5 2 226.900 14851.5 1 229.100 1351486.5 107 231.400 143564.5 11 237.100 301980.5 24 238.800 173267.5 14 243.200 24752.5 2 245.400 301980.5 24 249.500 1054456.5 83 257.200 6386145.0 504 261.200 871288.0 69 261.400 589109.5 46 275.400 1113862.5 88 277.400 59406.0 5 285.300 316832.0 25 289.200 108911.0 9 321.300 4663371.0 368 //