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MassBank Record: MSBNK-RIKEN_ReSpect-PT100393

7H-purin-6-amine, Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT100393
RECORD_TITLE: 7H-purin-6-amine, Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QTOF; MS2
DATE: 2008.07.24
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$NAME: 7H-purin-6-amine
CH$NAME: Vitamin B4
CH$NAME: 6-Aminopurine
CH$NAME: Adeninimine
CH$NAME: 1,6-Dihydro-6-iminopurine
CH$NAME: 6-AP
CH$NAME: ADE
CH$NAME: Adenine
CH$NAME: Leucon
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Adenine
CH$FORMULA: C5H5N5
CH$EXACT_MASS: 135.13
CH$SMILES: C1=NC2=C(N1)C(=NC=N2)N
CH$IUPAC: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
CH$LINK: CAS 73-24-5
CH$LINK: INCHIKEY GFFGJBXGBJISGV-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 30 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 136.06229

PK$SPLASH: splash10-000i-0900000000-f45a65a00be3c0c36350
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
  119.035 10.68 374
  136.0623 28.54 999
//

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