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MassBank Record: MSBNK-RIKEN_ReSpect-PT201440

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT201440
RECORD_TITLE: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CH$NAME: 2'-Deoxycytidine
CH$NAME: dC
CH$NAME: dCYD
CH$NAME: 2'-Deoxy-CYD
CH$NAME: Cytosine deoxyriboside
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleoside CLASS3 Cytidine
CH$FORMULA: C9H13N3O4
CH$EXACT_MASS: 227.22
CH$SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
CH$IUPAC: InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)
CH$LINK: CAS 951-77-9
CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 226.0828

PK$SPLASH: splash10-0006-9130000000-441cdea7b1e92a12d0f9
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  66.0362 14.04 155
  93.0472 90.66 999
  135.0583 13.81 152
  209.9796 10.85 120
  226.0144 12.92 142
  226.0828 21.75 240
//

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