MassBank Record: KO000460



 Chloramphenicol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000460
RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 321 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0aba-9500000000-b281e388eaf2c665bc61 PK$NUM_PEAK: 44 PK$PEAK: m/z int. rel.int. 35.100 450495.5 191 42.300 188119.0 80 46.100 801981.0 340 47.000 118812.0 50 55.500 19802.0 8 59.300 2356438.0 999 65.800 19802.0 8 70.800 49505.0 21 78.300 193069.5 82 79.000 886139.5 376 80.800 19802.0 8 82.800 460396.5 195 83.900 64356.5 27 85.100 19802.0 8 92.200 64356.5 27 92.900 143564.5 61 94.900 34653.5 15 96.900 816832.5 346 99.000 376238.0 160 105.000 84158.5 36 106.000 371287.5 157 107.400 24752.5 10 115.100 24752.5 10 117.000 59406.0 25 117.700 29703.0 13 118.300 54455.5 23 119.100 183168.5 78 121.200 2311883.5 980 122.500 113861.5 48 126.800 24752.5 10 131.300 44554.5 19 135.200 59406.0 25 136.400 19802.0 8 143.500 14851.5 6 145.200 24752.5 10 147.300 24752.5 10 147.800 79208.0 34 151.300 628713.5 267 152.200 247525.0 105 158.700 14851.5 6 161.300 39604.0 17 161.900 24752.5 10 174.200 24752.5 10 261.400 84158.5 36 //