MassBank MassBank Search Contents Download

MassBank Record: PT200390

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: PT200390
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: 2008.07.28
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$NAME: 7H-purin-6-amine
CH$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 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 134.04669

PK$SPLASH: splash10-001i-0900000000-80808f34c7497219d349
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  92.0255 67.86 67
  107.0359 272.0 268
  134.0467 1015.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze