MassBank Record: KO003073

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Hypoxanthine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003073
RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H014

CH$NAME: Hypoxanthine
CH$NAME: Purine-6-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H4N4O
CH$EXACT_MASS: 136.038510000000002264641807414591312408447265625
CH$SMILES: C1=NC2=C(N1)C(=O)N=CN2
CH$IUPAC: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
CH$LINK: CAS 68-94-0
CH$LINK: CHEBI 17368
CH$LINK: CHEMPDB HPA
CH$LINK: COMPTOX DTXSID8045983
CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N
CH$LINK: KEGG C00262
CH$LINK: NIKKAJI J1.934H
CH$LINK: PUBCHEM SID:3560

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 137
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-9000000000-4b8f9e13ed7adf0888c2
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41.300 24752.5 1
  50.800 54455.5 1
  55.200 361386.5 4
  59.300 103960.5 1
  62.600 24752.5 1
  64.400 24752.5 1
  64.900 39604.0 1
  69.100 80797110.5 999
  73.300 138614.0 2
  77.200 34653.5 1
  83.100 74257.5 1
  88.200 29703.0 1
  91.100 242574.5 3
  101.400 54455.5 1
  101.900 168317.0 2
  105.000 1301981.5 16
  119.000 54455.5 1
  120.200 3044557.5 38
  137.300 1648516.5 20
//