MassBank Record: KO000458



 Chloramphenicol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:4172
AC$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 PK$PEAK: m/z int. rel.int. 35.200 519802.5 52 42.100 133663.5 13 45.900 54455.5 5 47.000 54455.5 5 54.200 14851.5 1 59.100 1742576.0 176 69.900 44554.5 4 70.800 89109.0 9 74.800 19802.0 2 77.000 821783.0 83 77.900 138614.0 14 79.100 207921.0 21 83.000 237624.0 24 84.200 138614.0 14 85.400 34653.5 3 91.000 301980.5 30 92.900 148515.0 15 95.200 99010.0 10 96.400 34653.5 3 96.800 1514853.0 153 97.900 54455.5 5 99.000 1207922.0 122 100.800 24752.5 2 103.000 14851.5 1 105.000 133663.5 13 106.200 148515.0 15 106.600 34653.5 3 109.300 14851.5 1 110.900 24752.5 2 111.400 49505.0 5 113.100 658416.5 66 114.800 89109.0 9 117.000 69307.0 7 117.900 207921.0 21 118.400 133663.5 13 120.900 1252476.5 126 121.900 14851.5 1 123.100 49505.0 5 126.100 123762.5 12 126.900 346535.0 35 129.200 24752.5 2 130.400 34653.5 3 131.800 39604.0 4 133.200 34653.5 3 134.300 54455.5 5 135.000 24752.5 2 136.800 103960.5 10 137.200 158416.0 16 138.800 158416.0 16 141.200 1400991.5 141 146.000 148515.0 15 146.900 198020.0 20 148.000 608911.5 61 148.300 386139.0 39 149.400 44554.5 4 151.400 2628715.5 265 152.100 9915851.5 999 154.800 14851.5 1 156.800 59406.0 6 159.100 153465.5 15 160.300 19802.0 2 161.200 113861.5 11 163.000 29703.0 3 164.900 108911.0 11 169.200 64356.5 6 174.900 54455.5 5 176.000 1163367.5 117 177.200 99010.0 10 178.100 14851.5 1 179.100 292079.5 29 187.100 257426.0 26 189.100 14851.5 1 191.600 34653.5 3 194.400 163366.5 16 195.700 14851.5 1 203.100 34653.5 3 205.500 34653.5 3 214.900 14851.5 1 219.100 74257.5 7 229.100 183168.5 18 231.000 34653.5 3 249.700 64356.5 6 257.100 99010.0 10 261.500 638614.5 64 275.500 79208.0 8 285.300 44554.5 4 321.200 44554.5 4 //