MassBank Record: KO000987



 Hypoxanthine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000987
RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:50 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$EXACT_MASS: 136.03851 CH$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$LINK: KEGG C00262 CH$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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 135 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-9000000000-ad93e267446292bf247b PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 41.100 49505.0 147 42.000 39604.0 118 64.300 39604.0 118 65.200 336634.0 999 66.000 237624.0 705 68.000 49505.0 147 79.800 183168.5 544 81.800 44554.5 132 92.200 113861.5 338 96.800 74257.5 220 99.100 19802.0 59 //