ACCESSION: MSBNK-RIKEN_ReSpect-PT110100
RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol, 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione; 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$NAME: Alloxanthine
CH$NAME: Ossipurinolo
CH$NAME: Oxypurinol
CH$NAME: DHPP
CH$NAME: Oxoallopurinol
CH$NAME: Oxipurinol
CH$NAME: 1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Oxipurinol
CH$FORMULA: C₅H₄N₄O₂
CH$EXACT_MASS: 152.113
CH$SMILES: C1=C2C(=NC(=O)NC2=O)NN1
CH$IUPAC: InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
CH$LINK: CAS 2465-59-0
CH$LINK: INCHIKEY HXNFUBHNUDHIGC-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 153.04122

PK$SPLASH: splash10-0f79-0900000000-3de88a143c5683886f8d
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  80.0132 16.55 57
  110.0356 35.2 121
  135.0298 21.24 73
  136.015 290.4 999
  153.0412 168.7 580
//