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MassBank Record: KO004248

Uridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO004248
RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:30 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 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 245
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03di-4900000000-10340fb76655d3f993a0
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  42.900 29703.0 7
  55.400 94059.5 24
  56.000 29703.0 7
  68.200 34653.5 9
  69.000 103960.5 26
  70.000 103960.5 26
  72.900 178218.0 45
  73.900 257426.0 65
  75.900 29703.0 7
  80.800 212871.5 54
  85.100 59406.0 15
  91.300 29703.0 7
  91.800 1153466.5 291
  94.300 54455.5 14
  95.100 39604.0 10
  95.900 183168.5 46
  96.800 103960.5 26
  97.900 29703.0 7
  99.200 29703.0 7
  103.000 29703.0 7
  105.100 79208.0 20
  107.000 99010.0 25
  107.900 29703.0 7
  109.000 39604.0 10
  112.400 29703.0 7
  113.400 3965350.5 999
  114.000 153465.5 39
  115.100 34653.5 9
  117.100 49505.0 12
  119.000 54455.5 14
  120.500 19802.0 5
  134.800 64356.5 16
  135.800 84158.5 21
  137.400 292079.5 74
  146.500 24752.5 6
  149.100 39604.0 10
  152.400 49505.0 12
  153.800 19802.0 5
  156.900 19802.0 5
  160.000 39604.0 10
  213.100 9901.0 2
  228.400 54455.5 14
//

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