ACCESSION: MSBNK-EPA-ENTACT_AGILENT001280
RECORD_TITLE: Adenine; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014l-9100000000-b0e16008d0a695d8fc08
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  28.018175 1.075308 10
  38.002525 4.386366 43
  40.018175 20.802608 207
  43.029075 4.794302 47
  53.013424 3.733484 37
  55.029075 31.221414 311
  65.013424 99.999997 999
  66.021249 2.082994 20
  67.029075 40.269539 402
  77.013424 9.710745 97
  82.039974 4.587372 45
  92.024324 84.135227 840
  94.039974 5.36586 53
  109.050873 2.80716 28
  119.035223 45.321008 452
//