ACCESSION: MSBNK-EPA-ENTACT_AGILENT001278
RECORD_TITLE: Adenine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Adenine
CH$NAME: DTXSID6022557
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₅N₅
CH$EXACT_MASS: 135.0544951965
CH$SMILES: NC1=NC=NC2NC=NC=21
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: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:190

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 136.0617716482
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kr-1900000000-97c0b3504c5012642a60
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  55.029075 1.353229 13
  65.013424 1.993214 19
  67.029075 3.142546 31
  82.039974 1.2919 12
  92.024324 8.452014 84
  94.039974 10.262296 102
  109.050873 3.232459 32
  119.035223 83.302661 832
  136.061772 99.999999 999
//