MassBank Record: PR100020



 Adenine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100020
RECORD_TITLE: Adenine; LC-ESI-QTOF; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Adenine CH$NAME: 6-AP CH$NAME: ADE CH$NAME: 6-Aminopurine CH$NAME: Vitamin B4 CH$NAME: Adeninimine CH$NAME: Leucon CH$NAME: 1,6-Dihydro-6-iminopurine CH$COMPOUND_CLASS: Adenine CH$FORMULA: C5H5N5 CH$EXACT_MASS: 135.05450 CH$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$LINK: CHEMSPIDER 185 CH$LINK: KAPPAVIEW KPC00280 CH$LINK: KEGG C00147 CH$LINK: KNAPSACK C00001490 CH$LINK: PUBCHEM CID:190 CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V AC$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH)/ H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 136.06229 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0900000000-f45a65a00be3c0c36350 PK$NUM_PEAK: 2 PK$PEAK: m/z int. rel.int. 119.0350 10.68 374 136.0623 28.54 999 //