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MassBank Record: PT202400

6-Hydroxy-2-aminopurine, 2-amino-3,7-dihydropurin-6-one, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QTOF; MS2

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

ACCESSION: PT202400
RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-amino-3,7-dihydropurin-6-one, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; 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$NAME: 6-Hydroxy-2-aminopurine
CH$NAME: 2-amino-3,7-dihydropurin-6-one
CH$NAME: 2-Amino-6-hydroxypurine
CH$NAME: Guanine
CH$NAME: 2-Aminohypoxanthine
CH$NAME: 2-Amino-6-oxypurine
CH$NAME: Guanine enol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Guanine
CH$FORMULA: C5H5N5O
CH$EXACT_MASS: 151.129
CH$SMILES: C1=NC2=C(N1)C(=O)N=C(N2)N
CH$IUPAC: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
CH$LINK: CAS 73-40-5
CH$LINK: INCHIKEY UYTPUPDQBNUYGX-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 150.04161

PK$SPLASH: splash10-0f89-0900000000-64e388178db73f06cb20
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  66.01 19.73 108
  108.02 34.24 187
  133.0153 183.1 999
  150.0416 104.3 569
//

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