ACCESSION: MSBNK-RIKEN_ReSpect-PT101063
RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine, 3-methylpurin-6-amine; 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$NAME: 3-Methyladenine
CH$NAME: 6-Amino-3-methylpurine
CH$NAME: 3-methylpurin-6-amine
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Adenine
CH$FORMULA: C₆H₇N₅
CH$EXACT_MASS: 149.157
CH$SMILES: CN1C=NC(=C2C1=NC=N2)N
CH$IUPAC: InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
CH$LINK: CAS 5142-23-4
CH$LINK: INCHIKEY FSASIHFSFGAIJM-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 150.07794

PK$SPLASH: splash10-0udi-0900000000-f67b128eb2b6ac7139b4
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
123.0651 2.781 72
150.0779 38.81 999
//