ACCESSION: MSBNK-EPA-ENTACT_AGILENT001277
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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 134.0472187448
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a59-2900000000-348da17d4c4d98220b2b
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.014522 1.076673 10
  65.014522 10.559665 105
  66.009771 1.068033 10
  68.025421 4.856063 48
  80.025421 1.840511 18
  92.025421 34.710373 346
  107.03632 99.999998 999
  134.047219 75.09574 750
//