MassBank Record: KO003122



 3-Hydroxy-DL-kynurenine; 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: KO003122
RECORD_TITLE: 3-Hydroxy-DL-kynurenine; 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 H050

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: KEGG C02794 CH$LINK: PUBCHEM SID:5745
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 225 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004j-9400000000-8c872323edf1d080dd4a PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 46.200 292079.5 260 53.000 44554.5 40 54.900 39604.0 35 57.400 9901.0 9 65.300 183168.5 163 71.900 14851.5 13 73.900 217822.0 194 77.000 74257.5 66 78.100 1123763.5 999 78.900 94059.5 84 80.100 321782.5 286 81.300 19802.0 18 83.000 19802.0 18 88.700 148515.0 132 89.400 49505.0 44 92.000 396040.0 352 92.300 118812.0 106 93.000 103960.5 92 96.400 292079.5 260 98.400 39604.0 35 99.300 44554.5 40 105.200 24752.5 22 106.100 242574.5 216 107.300 108911.0 97 108.100 138614.0 123 110.100 257426.0 229 116.200 173267.5 154 117.200 118812.0 106 120.100 49505.0 44 124.800 24752.5 22 134.000 163366.5 145 136.200 168317.0 150 144.100 34653.5 31 144.600 19802.0 18 148.100 59406.0 53 162.000 247525.0 220 //