MassBank Record: MT000120

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Uridine; LC-ESI-IT; MS2; m/z: 243.1; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MT000120
RECORD_TITLE: Uridine; LC-ESI-IT; MS2; m/z: 243.1; [M-H]-
DATE: 2016.01.19 (Created 2009.08.07, modified 2012.10.30)
AUTHORS: Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Uridine
CH$COMPOUND_CLASS: Natural Product; Ribonucleic acids
CH$FORMULA: C9H12N2O6
CH$EXACT_MASS: 244.069539999999989277057466097176074981689453125
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: COMPTOX DTXSID40891555
CH$LINK: HMDB HMDB00296
CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N
CH$LINK: KEGG C00299

AC$INSTRUMENT: LTQ XL, Thermo Finnigan
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_M/Z 243.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5

PK$SPLASH: splash10-0udi-0690000000-357cb54739a10dfcbd65
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  82.2 0.3 3
  108.2 0.3 3
  110.1 13.5 135
  111.1 32.3 323
  117.1 0.7 7
  122.2 0.2 2
  126.2 0.3 3
  132.1 0.6 6
  138.2 0.5 5
  140.1 5.1 51
  152.1 11.0 110
  153.1 5.6 56
  164.2 0.3 3
  182.1 1.9 19
  183.1 0.2 2
  200.1 100.0 999
  201.1 0.2 2
  225.1 0.3 3
//