MassBank Record: KO009001



 3-Hydroxy-DL-kynurenine; LC-ESI-IT; MS3; m/z: 225/208; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009001
RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-IT; MS3; m/z: 225/208; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H050
COMMENT: [MS2] KO009000

CH$NAME: 3-Hydroxykynurenine CH$NAME: 3-Hydroxy-DL-kynurenine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12N2O4 CH$EXACT_MASS: 224.07971 CH$SMILES: OC(=O)C(N)CC(=O)c(c1)c(N)c(O)cc1 CH$IUPAC: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16) CH$LINK: CAS 2147-61-7 CH$LINK: CHEBI 1547 CH$LINK: KEGG C02794 CH$LINK: NIKKAJI J257.323G CH$LINK: PUBCHEM 5745 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.60/0.60
MS$FOCUSED_ION: PRECURSOR_M/Z 225/208 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-03xr-0900000000-55f3e8f0320e4fca80e1 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 65.2 9.22 2 71.2 5.22 1 79.2 4.78 1 82.0 14.11 2 88.2 12.55 2 92.1 33.89 6 93.0 40.33 7 99.1 119.00 20 109.4 12.67 2 110.1 3342.70 551 111.1 19.89 3 111.9 5.11 1 114.0 9.00 1 120.0 349.55 58 134.1 46.00 8 136.0 1.00 1 137.0 6.78 1 138.0 75.89 13 144.9 14.44 2 147.0 3.22 1 148.0 23.33 4 149.0 12.55 2 152.0 195.33 32 161.1 62.22 10 162.0 5242.88 864 162.9 11.89 2 164.1 1.44 1 165.0 4.22 1 166.0 6060.74 999 166.8 1.00 1 171.1 1.00 1 172.0 38.22 6 173.4 2.00 1 179.3 12.55 2 180.0 2446.29 403 181.1 2.11 1 183.6 3.33 1 187.1 6.89 1 190.0 1814.75 299 208.0 96.11 16 209.0 6.78 1 214.1 5.33 1 226.7 2.78 1 227.5 1.89 1 278.9 1.00 1 //