ACCESSION: MSBNK-RIKEN_ReSpect-PT103610
RECORD_TITLE: 5-methyl-1H-pyrimidine-2,4-dione, 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; 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$NAME: 5-methyl-1H-pyrimidine-2,4-dione
CH$NAME: 2,4-Dihydroxy-5-methylpyrimidine
CH$NAME: T
CH$NAME: 5-Methyluracil
CH$NAME: Thymine
CH$NAME: 5-Methylpyrimidine-2,4-diol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Thymine
CH$FORMULA: C₅H₆N₂O₂
CH$EXACT_MASS: 126.115
CH$SMILES: CC1=CNC(=O)NC1=O
CH$IUPAC: InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
CH$LINK: CAS 65-71-4
CH$LINK: INCHIKEY RWQNBRDOKXIBIV-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 127.05073

PK$SPLASH: splash10-004i-0900000000-97549ff58b84351d860c
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  84.0447 57.64 109
  109.0401 56.87 108
  110.0248 188.4 358
  127.0507 526.1 999
//