ACCESSION: MSBNK-Keio_Univ-KO009307
RECORD_TITLE: Uridine; LC-ESI-IT; MS2; m/z: 245; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID U006

CH$NAME: Uridine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂N₂O₆
CH$EXACT_MASS: 244.06954
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2
CH$IUPAC: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
CH$LINK: CAS 58-96-8
CH$LINK: CHEBI 16704
CH$LINK: KEGG C00299
CH$LINK: NIKKAJI J4.593D
CH$LINK: PUBCHEM SID:3593
CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N
CH$LINK: COMPTOX DTXSID40891555

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 245
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-03di-0910000000-566ed331b13b3c9cf8e9
PK$ANNOTATION: m/z struct. num formula mass
  113.0 1 1 C4H5N2O2 113.0351
  171.2 0 1 C6H7N2O4 171.04058
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  69.1 7.94 1
  70.2 49.35 4
  72.2 3.18 1
  73.2 9.71 1
  81.2 1.65 1
  83.0 0.88 1
  84.2 1.82 1
  85.1 33.35 3
  87.1 4.53 1
  88.7 9.24 1
  95.1 8.71 1
  96.1 56.88 5
  97.0 104.70 9
  99.1 22.82 2
  100.0 3.00 1
  101.0 4.47 1
  103.1 7.06 1
  105.1 7.12 1
  107.0 26.00 2
  108.1 1.71 1
  109.1 18.18 2
  111.1 8.29 1
  112.4 6.00 1
  113.0 11392.40 999
  114.1 15.12 1
  115.0 82.59 7
  117.1 4.35 1
  118.1 6.24 1
  119.1 37.65 3
  119.9 6.35 1
  121.1 5.18 1
  123.0 0.71 1
  123.7 9.35 1
  125.1 6.41 1
  127.1 37.65 3
  129.0 6.65 1
  129.7 4.88 1
  131.0 9.18 1
  132.2 9.00 1
  133.0 225.82 20
  135.0 17.23 2
  138.0 1.41 1
  138.9 1.53 1
  143.1 4.18 1
  144.1 12.65 1
  145.1 6.06 1
  147.0 17.18 2
  149.0 17.24 2
  152.1 1.94 1
  153.1 1.65 1
  155.2 3.59 1
  157.1 12.71 1
  159.1 11.82 1
  161.1 18.12 2
  163.1 35.94 3
  165.2 4.06 1
  167.1 1.06 1
  169.0 18.12 2
  171.2 492.23 43
  172.1 2.82 1
  175.1 30.18 3
  178.1 1.53 1
  179.1 23.06 2
  181.2 11.35 1
  183.1 30.76 3
  184.1 17.77 2
  185.1 46.17 4
  187.1 40.82 4
  188.1 2.24 1
  189.1 81.64 7
  191.0 10.71 1
  192.1 3.29 1
  199.1 16.18 1
  199.9 1.59 1
  201.2 22.82 2
  203.1 11.71 1
  205.1 11.47 1
  208.2 7.53 1
  209.1 110.76 10
  210.0 20.59 2
  212.1 2.41 1
  213.0 6.82 1
  215.9 3.71 1
  217.2 30.70 3
  220.2 3.29 1
  223.3 0.88 1
  225.0 4.12 1
  226.1 18.18 2
  227.2 274.47 24
  228.1 27.59 2
  228.7 7.88 1
  229.9 3.06 1
  231.1 7.65 1
  241.3 9.18 1
  242.0 9.18 1
  243.2 17.35 2
  244.2 216.35 19
  245.2 742.35 65
  246.2 31.59 3
  248.2 5.47 1
  249.9 3.65 1
  269.4 6.59 1
//