MassBank Record: MT000055



 Hypoxanthine; LC-ESI-IT; MS2; m/z: 137.1; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000055
RECORD_TITLE: Hypoxanthine; LC-ESI-IT; MS2; m/z: 137.1; [M+H]+
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Hypoxanthine CH$COMPOUND_CLASS: Natural Product 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: HMDB HMDB00157 CH$LINK: KEGG C00262 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 137.1 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-000i-2900000000-dc5e86acd04180efda0a PK$NUM_PEAK: 36 PK$PEAK: m/z int. rel.int. 57.2 0.6 6 59.3 0.1 1 64.2 0.4 4 67.2 0.3 3 71.2 0.1 1 73.4 0.1 1 74.2 0.2 2 77.2 0.2 2 78.2 0.3 3 79.2 0.2 2 81.2 9.9 99 83.1 0.1 1 85.2 0.2 2 89.3 1.0 10 90.2 1.6 16 91.1 1.3 13 92.1 0.2 2 93.1 3.3 33 94.1 3.7 37 95.2 9.2 92 100.1 0.5 5 101.2 0.3 3 104.1 0.4 4 105.2 0.2 2 107.1 0.2 2 108.2 1.3 13 109.2 3.3 33 110.2 3.0 30 111.1 0.1 1 118.0 1.2 12 119.1 4.8 48 120.2 0.3 3 121.2 0.2 2 136.2 1.2 12 137.1 100.0 999 138.1 8.4 84 //