MassBank Record: KO000459



 Chloramphenicol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000459
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 321 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0zmj-6900000000-09637c2e3001e6e27c1a PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 35.100 485149.0 188 42.200 257426.0 100 45.200 34653.5 13 46.000 435644.0 169 46.800 113861.5 44 54.900 49505.0 19 59.200 1980200.0 768 70.400 24752.5 10 71.200 74257.5 29 73.000 49505.0 19 75.000 49505.0 19 77.100 89109.0 35 78.100 371287.5 144 79.200 549505.5 213 83.200 455446.0 177 85.200 44554.5 17 90.900 29703.0 12 92.200 49505.0 19 93.200 207921.0 81 95.000 64356.5 25 97.100 1277229.0 496 99.100 891090.0 346 101.700 39604.0 15 103.300 9901.0 4 105.500 54455.5 21 106.300 509901.5 198 111.000 64356.5 25 113.100 168317.0 65 113.500 34653.5 13 114.900 44554.5 17 117.000 103960.5 40 118.000 212871.5 83 119.300 79208.0 31 121.300 2574260.0 999 122.300 153465.5 60 126.500 84158.5 33 131.500 44554.5 17 133.000 34653.5 13 133.600 39604.0 15 135.100 69307.0 27 136.100 79208.0 31 137.100 74257.5 29 139.100 89109.0 35 141.000 207921.0 81 143.400 19802.0 8 146.300 138614.0 54 147.100 69307.0 27 148.000 321782.5 125 151.300 1688120.5 655 152.200 2500002.5 970 159.100 108911.0 42 161.300 44554.5 17 163.400 34653.5 13 171.000 14851.5 6 176.100 79208.0 31 178.900 54455.5 21 179.500 14851.5 6 187.000 89109.0 35 212.700 9901.0 4 261.200 306931.0 119 //