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MassBank Record: MSBNK-RIKEN_ReSpect-PT103560

Thymidine-3',5'-cyclic monophosphate sodium salt , 1-(3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl)-5-methylpyrimidine-2,4-dione, cdTMP, 3',5'-Cyclic deoxy-TMP, Deoxythymidine-3',5'-cyclic monophosphate; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT103560
RECORD_TITLE: Thymidine-3',5'-cyclic monophosphate sodium salt , 1-(3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl)-5-methylpyrimidine-2,4-dione, cdTMP, 3',5'-Cyclic deoxy-TMP, Deoxythymidine-3',5'-cyclic monophosphate; LC-ESI-QTOF; MS2
DATE: 2008.07.25
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$NAME: Thymidine-3',5'-cyclic monophosphate sodium salt
CH$NAME: 1-(3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl)-5-methylpyrimidine-2,4-dione
CH$NAME: cdTMP
CH$NAME: 3',5'-Cyclic deoxy-TMP
CH$NAME: Deoxythymidine-3',5'-cyclic monophosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Thymidine phosphate
CH$FORMULA: C10H13N2O7P
CH$EXACT_MASS: 304.197
CH$SMILES: CC1=CN(C(=O)NC1=O)C2CC3C(O2)COP(=O)(O3)O
CH$IUPAC: InChI=1S/C10H13N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h3,6-8H,2,4H2,1H3,(H,15,16)(H,11,13,14)
CH$LINK: CAS 76567-90-3
CH$LINK: INCHIKEY QSJFDOVQWZVUQG-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 POSITIVE
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 305.05384

PK$SPLASH: splash10-001i-9202000000-560f24a8b97195adc67e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  81.0338 288.4 999
  127.0508 95.38 330
  305.0538 85.15 295
//

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